butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane

C38H86F6O — CID 158456709

IUPACbutane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane
SMILESCC(C)C.CC(C)C(F)(F)F.CC(C)C(F)F.CC(C)CF.CC1(C)CC1.CCC.CCC(C)C.CCCC.COCC(C)C
InChIInChI=1S/C5H12O.C5H10.C5H12.C4H7F3.C4H8F2.C4H9F.2C4H10.C3H8/c1-5(2)4-6-3;1-5(2)3-4-5;1-4-5(2)3;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;1-3-2/h5H,4H2,1-3H3;3-4H2,1-2H3;5H,4H2,1-3H3;3H,1-2H3;3-4H,1-2H3;4H,3H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyHEQUVSRNFMOLKA-UHFFFAOYSA-N
MW673.09 g/mol
LogP15.76
Rot. Bonds6

About butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane

butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane (PubChem CID 158456709) has the molecular formula C38H86F6O and a molecular weight of 673.09 g/mol. Its IUPAC name is butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

Compound Namebutane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane
PubChem CID158456709
Molecular FormulaC38H86F6O
Molecular Weight673.09 g/mol
Exact Mass672.66
IUPAC Namebutane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane
SMILESCC(C)C.CC(C)C(F)(F)F.CC(C)C(F)F.CC(C)CF.CC1(C)CC1.CCC.CCC(C)C.CCCC.COCC(C)C
InChIInChI=1S/C5H12O.C5H10.C5H12.C4H7F3.C4H8F2.C4H9F.2C4H10.C3H8/c1-5(2)4-6-3;1-5(2)3-4-5;1-4-5(2)3;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;1-3-2/h5H,4H2,1-3H3;3-4H2,1-2H3;5H,4H2,1-3H3;3H,1-2H3;3-4H,1-2H3;4H,3H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyHEQUVSRNFMOLKA-UHFFFAOYSA-N
XLogP15.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.09
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane?
The IUPAC name of butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane (CID 158456709) is butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane.
What is the SMILES notation for butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane?
The canonical SMILES for butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane is CC(C)C.CC(C)C(F)(F)F.CC(C)C(F)F.CC(C)CF.CC1(C)CC1.CCC.CCC(C)C.CCCC.COCC(C)C.
What is the InChIKey of butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane?
The InChIKey is HEQUVSRNFMOLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C5H10.C5H12.C4H7F3.C4H8F2.C4H9F.2C4H10.C3H8/c1-5(2)4-6-3;1-5(2)3-4-5;1-4-5(2)3;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;1-3-2/h5H,4H2,1-3H3;3-4H2,1-2H3;5H,4H2,1-3H3;3H,1-2H3;3-4H,1-2H3;4H,3H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane?
butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane has a molecular weight of 673.09 g/mol, XLogP of 15.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 158456709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).