1,1-difluoro-2-methylheptane

C8H16F2 — CID 23592394

IUPAC1,1-difluoro-2-methylheptane
SMILESCCCCCC(C)C(F)F
InChIInChI=1S/C8H16F2/c1-3-4-5-6-7(2)8(9)10/h7-8H,3-6H2,1-2H3
InChIKeyXCZQEHMQKHFTSN-UHFFFAOYSA-N
MW150.21 g/mol
LogP3.47
Rot. Bonds5

About 1,1-difluoro-2-methylheptane

1,1-difluoro-2-methylheptane (PubChem CID 23592394) has the molecular formula C8H16F2 and a molecular weight of 150.21 g/mol. Its IUPAC name is 1,1-difluoro-2-methylheptane.

Molecular Properties

Compound Name1,1-difluoro-2-methylheptane
PubChem CID23592394
Molecular FormulaC8H16F2
Molecular Weight150.21 g/mol
Exact Mass150.12
IUPAC Name1,1-difluoro-2-methylheptane
SMILESCCCCCC(C)C(F)F
InChIInChI=1S/C8H16F2/c1-3-4-5-6-7(2)8(9)10/h7-8H,3-6H2,1-2H3
InChIKeyXCZQEHMQKHFTSN-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-methyldecane
CID 22011097
3-(Perfluorohexyl)-2-methylpropane
CID 22011095
1,1,1,2,2,3,3,4,4-Nonafluoro-7-methyloctane
CID 22011096
1,1,1,2,2,3,3,4,4-Nonafluoro-6-methylheptane
CID 22011098
1,1-Difluoro-2-hexylcyclopropane
CID 23235827
4-(Difluoromethyl)octane
CID 14909954
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-11-methyldodecane
CID 20576124
2-Fluoro-2-methylheptane
CID 22497751
3-(Difluoromethyl)heptane
CID 23237105
2,2-Difluoroethylcyclododecane
CID 166446773
Nonafluorodimethylhexane
CID 177845969
1,1,1-Trifluoro-4,8-dimethylnonane
CID 11063709

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methylheptane?
The IUPAC name of 1,1-difluoro-2-methylheptane (CID 23592394) is 1,1-difluoro-2-methylheptane.
What is the SMILES notation for 1,1-difluoro-2-methylheptane?
The canonical SMILES for 1,1-difluoro-2-methylheptane is CCCCCC(C)C(F)F.
What is the InChIKey of 1,1-difluoro-2-methylheptane?
The InChIKey is XCZQEHMQKHFTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2/c1-3-4-5-6-7(2)8(9)10/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,1-difluoro-2-methylheptane?
1,1-difluoro-2-methylheptane has a molecular weight of 150.21 g/mol, XLogP of 3.47, 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-methylheptane is sourced from PubChem (CID 23592394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).