1,1-difluoroheptane

C7H14F2 — CID 9849

IUPAC1,1-difluoroheptane
SMILESCCCCCCC(F)F
InChIInChI=1S/C7H14F2/c1-2-3-4-5-6-7(8)9/h7H,2-6H2,1H3
InChIKeyGMAOOXCCDVIMBA-UHFFFAOYSA-N
MW136.19 g/mol
LogP3.22
Rot. Bonds5

About 1,1-difluoroheptane

1,1-difluoroheptane (PubChem CID 9849) has the molecular formula C7H14F2 and a molecular weight of 136.19 g/mol. Its IUPAC name is 1,1-difluoroheptane.

Molecular Properties

Compound Name1,1-difluoroheptane
PubChem CID9849
Molecular FormulaC7H14F2
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name1,1-difluoroheptane
SMILESCCCCCCC(F)F
InChIInChI=1S/C7H14F2/c1-2-3-4-5-6-7(8)9/h7H,2-6H2,1H3
InChIKeyGMAOOXCCDVIMBA-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroheptane?
The IUPAC name of 1,1-difluoroheptane (CID 9849) is 1,1-difluoroheptane.
What is the SMILES notation for 1,1-difluoroheptane?
The canonical SMILES for 1,1-difluoroheptane is CCCCCCC(F)F.
What is the InChIKey of 1,1-difluoroheptane?
The InChIKey is GMAOOXCCDVIMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2/c1-2-3-4-5-6-7(8)9/h7H,2-6H2,1H3.
What are the key properties of 1,1-difluoroheptane?
1,1-difluoroheptane has a molecular weight of 136.19 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroheptane is sourced from PubChem (CID 9849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).