1,7-difluoroheptane

C7H14F2 — CID 12739

IUPAC1,7-difluoroheptane
SMILESFCCCCCCCF
InChIInChI=1S/C7H14F2/c8-6-4-2-1-3-5-7-9/h1-7H2
InChIKeyZWXJTBZOZHXIAY-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.88
Rot. Bonds6

About 1,7-difluoroheptane

1,7-difluoroheptane (PubChem CID 12739) has the molecular formula C7H14F2 and a molecular weight of 136.19 g/mol. Its IUPAC name is 1,7-difluoroheptane.

Molecular Properties

Compound Name1,7-difluoroheptane
PubChem CID12739
Molecular FormulaC7H14F2
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name1,7-difluoroheptane
SMILESFCCCCCCCF
InChIInChI=1S/C7H14F2/c8-6-4-2-1-3-5-7-9/h1-7H2
InChIKeyZWXJTBZOZHXIAY-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.88
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 1,7-difluoroheptane?
The IUPAC name of 1,7-difluoroheptane (CID 12739) is 1,7-difluoroheptane.
What is the SMILES notation for 1,7-difluoroheptane?
The canonical SMILES for 1,7-difluoroheptane is FCCCCCCCF.
What is the InChIKey of 1,7-difluoroheptane?
The InChIKey is ZWXJTBZOZHXIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2/c8-6-4-2-1-3-5-7-9/h1-7H2.
What are the key properties of 1,7-difluoroheptane?
1,7-difluoroheptane has a molecular weight of 136.19 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-difluoroheptane is sourced from PubChem (CID 12739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).