1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene

C24H59F3 — CID 157324404

IUPAC1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene
SMILESC.C.C.C.C=CC(C)C.CC(C)C(F)F.CC(C)CC(C)F.CCC(C)C
InChIInChI=1S/C6H13F.C5H12.C5H10.C4H8F2.4CH4/c1-5(2)4-6(3)7;2*1-4-5(2)3;1-3(2)4(5)6;;;;/h5-6H,4H2,1-3H3;5H,4H2,1-3H3;4-5H,1H2,2-3H3;3-4H,1-2H3;4*1H4
InChIKeyBENSPEHTACINFV-UHFFFAOYSA-N
MW404.73 g/mol
LogP10.72
Rot. Bonds5

About 1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene

1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene (PubChem CID 157324404) has the molecular formula C24H59F3 and a molecular weight of 404.73 g/mol. Its IUPAC name is 1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene.

Molecular Properties

Compound Name1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene
PubChem CID157324404
Molecular FormulaC24H59F3
Molecular Weight404.73 g/mol
Exact Mass404.46
IUPAC Name1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene
SMILESC.C.C.C.C=CC(C)C.CC(C)C(F)F.CC(C)CC(C)F.CCC(C)C
InChIInChI=1S/C6H13F.C5H12.C5H10.C4H8F2.4CH4/c1-5(2)4-6(3)7;2*1-4-5(2)3;1-3(2)4(5)6;;;;/h5-6H,4H2,1-3H3;5H,4H2,1-3H3;4-5H,1H2,2-3H3;3-4H,1-2H3;4*1H4
InChIKeyBENSPEHTACINFV-UHFFFAOYSA-N
XLogP10.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.73
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene?
The IUPAC name of 1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene (CID 157324404) is 1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene.
What is the SMILES notation for 1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene?
The canonical SMILES for 1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene is C.C.C.C.C=CC(C)C.CC(C)C(F)F.CC(C)CC(C)F.CCC(C)C.
What is the InChIKey of 1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene?
The InChIKey is BENSPEHTACINFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F.C5H12.C5H10.C4H8F2.4CH4/c1-5(2)4-6(3)7;2*1-4-5(2)3;1-3(2)4(5)6;;;;/h5-6H,4H2,1-3H3;5H,4H2,1-3H3;4-5H,1H2,2-3H3;3-4H,1-2H3;4*1H4.
What are the key properties of 1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene?
1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene has a molecular weight of 404.73 g/mol, XLogP of 10.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene is sourced from PubChem (CID 157324404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).