1,1-difluoro-3,4-dimethylpentane

C7H14F2 — CID 20766221

IUPAC1,1-difluoro-3,4-dimethylpentane
SMILESCC(C)C(C)CC(F)F
InChIInChI=1S/C7H14F2/c1-5(2)6(3)4-7(8)9/h5-7H,4H2,1-3H3
InChIKeyZPKVPCVTMWRMNP-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.93
Rot. Bonds3

About 1,1-difluoro-3,4-dimethylpentane

1,1-difluoro-3,4-dimethylpentane (PubChem CID 20766221) has the molecular formula C7H14F2 and a molecular weight of 136.19 g/mol. Its IUPAC name is 1,1-difluoro-3,4-dimethylpentane.

Molecular Properties

Compound Name1,1-difluoro-3,4-dimethylpentane
PubChem CID20766221
Molecular FormulaC7H14F2
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name1,1-difluoro-3,4-dimethylpentane
SMILESCC(C)C(C)CC(F)F
InChIInChI=1S/C7H14F2/c1-5(2)6(3)4-7(8)9/h5-7H,4H2,1-3H3
InChIKeyZPKVPCVTMWRMNP-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3,4-dimethylpentane?
The IUPAC name of 1,1-difluoro-3,4-dimethylpentane (CID 20766221) is 1,1-difluoro-3,4-dimethylpentane.
What is the SMILES notation for 1,1-difluoro-3,4-dimethylpentane?
The canonical SMILES for 1,1-difluoro-3,4-dimethylpentane is CC(C)C(C)CC(F)F.
What is the InChIKey of 1,1-difluoro-3,4-dimethylpentane?
The InChIKey is ZPKVPCVTMWRMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2/c1-5(2)6(3)4-7(8)9/h5-7H,4H2,1-3H3.
What are the key properties of 1,1-difluoro-3,4-dimethylpentane?
1,1-difluoro-3,4-dimethylpentane has a molecular weight of 136.19 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3,4-dimethylpentane is sourced from PubChem (CID 20766221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).