1,6-difluoroheptane

C7H14F2 — CID 139983024

IUPAC1,6-difluoroheptane
SMILESCC(F)CCCCCF
InChIInChI=1S/C7H14F2/c1-7(9)5-3-2-4-6-8/h7H,2-6H2,1H3
InChIKeyUSCJGKDYNJSCAG-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.87
Rot. Bonds5

About 1,6-difluoroheptane

1,6-difluoroheptane (PubChem CID 139983024) has the molecular formula C7H14F2 and a molecular weight of 136.19 g/mol. Its IUPAC name is 1,6-difluoroheptane.

Molecular Properties

Compound Name1,6-difluoroheptane
PubChem CID139983024
Molecular FormulaC7H14F2
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name1,6-difluoroheptane
SMILESCC(F)CCCCCF
InChIInChI=1S/C7H14F2/c1-7(9)5-3-2-4-6-8/h7H,2-6H2,1H3
InChIKeyUSCJGKDYNJSCAG-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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

1,8-difluorononane
CID 168864691
6-fluoroheptan-1-amine
CID 83855129
2-fluorohenicosane
CID 91354486
(2R)-8-fluorooctan-2-ol
CID 54347912
1,7-difluorononane
CID 168864708
1-fluoro-7-methylpentacosane
CID 88638363
(2R)-2-(18F)fluoro-6-methylheptane
CID 153412043
trichloro(10-fluorodecan-2-yl)silane
CID 139839795
2,6-difluorooctadecane
CID 174393944
(E)-9-fluorodec-2-ene
CID 22172002
4-fluoropentane-1-thiol
CID 87282782
17-fluoro-1-(4-methylpentoxy)octadecane
CID 154961215

Frequently Asked Questions

What is the IUPAC name of 1,6-difluoroheptane?
The IUPAC name of 1,6-difluoroheptane (CID 139983024) is 1,6-difluoroheptane.
What is the SMILES notation for 1,6-difluoroheptane?
The canonical SMILES for 1,6-difluoroheptane is CC(F)CCCCCF.
What is the InChIKey of 1,6-difluoroheptane?
The InChIKey is USCJGKDYNJSCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2/c1-7(9)5-3-2-4-6-8/h7H,2-6H2,1H3.
What are the key properties of 1,6-difluoroheptane?
1,6-difluoroheptane has a molecular weight of 136.19 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoroheptane is sourced from PubChem (CID 139983024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).