butane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane

C71H133F41 — CID 161151180

IUPACbutane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane
SMILESC.CC(=C(F)F)C(F)(F)F.CC(C(C)(F)F)C(F)(F)F.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)(C)C(F)(F)F.CC(C)(C)F.CC(C)(F)C(F)(F)F.CC(C)=C(F)F.CC(C)C.CC(C)C(C)(F)F.CC(C)C(F)(F)F.CCC(C)(C)F.CCC(C)(F)C(F)(F)F.CCC(C)C(F)(F)F.CCCC.CF.CF
InChIInChI=1S/C5H6F6.C5H7F5.C5H8F4.2C5H9F3.C5H10F2.C5H11F.C5H12.C4H3F5.C4H6F4.C4H7F3.C4H6F2.C4H9F.2C4H10.2CH3F.CH4/c1-3(2,4(6,7)8)5(9,10)11;1-3(4(2,6)7)5(8,9)10;1-3-4(2,6)5(7,8)9;1-4(2,3)5(6,7)8;1-3-4(2)5(6,7)8;1-4(2)5(3,6)7;1-4-5(2,3)6;1-5(2,3)4;1-2(3(5)6)4(7,8)9;1-3(2,5)4(6,7)8;1-3(2)4(5,6)7;1-3(2)4(5)6;1-4(2,3)5;1-4(2)3;1-3-4-2;2*1-2;/h1-2H3;3H,1-2H3;3H2,1-2H3;1-3H3;4H,3H2,1-2H3;4H,1-3H3;4H2,1-3H3;1-4H3;1H3;1-2H3;3H,1-2H3;1-2H3;1-3H3;4H,1-3H3;3-4H2,1-2H3;2*1H3;1H4
InChIKeyUORVKUHKBYOPJZ-UHFFFAOYSA-N
MW1765.76 g/mol
LogP36.78
Rot. Bonds6

About butane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane

butane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane (PubChem CID 161151180) has the molecular formula C71H133F41 and a molecular weight of 1765.76 g/mol. Its IUPAC name is butane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

Compound Namebutane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane
PubChem CID161151180
Molecular FormulaC71H133F41
Molecular Weight1765.76 g/mol
Exact Mass1764.98
IUPAC Namebutane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane
SMILESC.CC(=C(F)F)C(F)(F)F.CC(C(C)(F)F)C(F)(F)F.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)(C)C(F)(F)F.CC(C)(C)F.CC(C)(F)C(F)(F)F.CC(C)=C(F)F.CC(C)C.CC(C)C(C)(F)F.CC(C)C(F)(F)F.CCC(C)(C)F.CCC(C)(F)C(F)(F)F.CCC(C)C(F)(F)F.CCCC.CF.CF
InChIInChI=1S/C5H6F6.C5H7F5.C5H8F4.2C5H9F3.C5H10F2.C5H11F.C5H12.C4H3F5.C4H6F4.C4H7F3.C4H6F2.C4H9F.2C4H10.2CH3F.CH4/c1-3(2,4(6,7)8)5(9,10)11;1-3(4(2,6)7)5(8,9)10;1-3-4(2,6)5(7,8)9;1-4(2,3)5(6,7)8;1-3-4(2)5(6,7)8;1-4(2)5(3,6)7;1-4-5(2,3)6;1-5(2,3)4;1-2(3(5)6)4(7,8)9;1-3(2,5)4(6,7)8;1-3(2)4(5,6)7;1-3(2)4(5)6;1-4(2,3)5;1-4(2)3;1-3-4-2;2*1-2;/h1-2H3;3H,1-2H3;3H2,1-2H3;1-3H3;4H,3H2,1-2H3;4H,1-3H3;4H2,1-3H3;1-4H3;1H3;1-2H3;3H,1-2H3;1-2H3;1-3H3;4H,1-3H3;3-4H2,1-2H3;2*1H3;1H4
InChIKeyUORVKUHKBYOPJZ-UHFFFAOYSA-N
XLogP36.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001765.76
LogP ≤ 536.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze butane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of butane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane?
The IUPAC name of butane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane (CID 161151180) is butane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane.
What is the SMILES notation for butane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane?
The canonical SMILES for butane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane is C.CC(=C(F)F)C(F)(F)F.CC(C(C)(F)F)C(F)(F)F.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)(C)C(F)(F)F.CC(C)(C)F.CC(C)(F)C(F)(F)F.CC(C)=C(F)F.CC(C)C.CC(C)C(C)(F)F.CC(C)C(F)(F)F.CCC(C)(C)F.CCC(C)(F)C(F)(F)F.CCC(C)C(F)(F)F.CCCC.CF.CF.
What is the InChIKey of butane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane?
The InChIKey is UORVKUHKBYOPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6.C5H7F5.C5H8F4.2C5H9F3.C5H10F2.C5H11F.C5H12.C4H3F5.C4H6F4.C4H7F3.C4H6F2.C4H9F.2C4H10.2CH3F.CH4/c1-3(2,4(6,7)8)5(9,10)11;1-3(4(2,6)7)5(8,9)10;1-3-4(2,6)5(7,8)9;1-4(2,3)5(6,7)8;1-3-4(2)5(6,7)8;1-4(2)5(3,6)7;1-4-5(2,3)6;1-5(2,3)4;1-2(3(5)6)4(7,8)9;1-3(2,5)4(6,7)8;1-3(2)4(5,6)7;1-3(2)4(5)6;1-4(2,3)5;1-4(2)3;1-3-4-2;2*1-2;/h1-2H3;3H,1-2H3;3H2,1-2H3;1-3H3;4H,3H2,1-2H3;4H,1-3H3;4H2,1-3H3;1-4H3;1H3;1-2H3;3H,1-2H3;1-2H3;1-3H3;4H,1-3H3;3-4H2,1-2H3;2*1H3;1H4.
What are the key properties of butane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane?
butane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane has a molecular weight of 1765.76 g/mol, XLogP of 36.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylprop-1-ene;2,2-dimethylpropane;fluoromethane;2-fluoro-2-methylbutane;2-fluoro-2-methylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;2-methylpropane;1,1,1,3,3-pentafluoro-2-methylbutane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;1,1,1,2-tetrafluoro-2-methylbutane;1,1,1,2-tetrafluoro-2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 161151180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).