2,2-difluorohexane

C6H12F2 — CID 12545904

IUPAC2,2-difluorohexane
SMILESCCCCC(C)(F)F
InChIInChI=1S/C6H12F2/c1-3-4-5-6(2,7)8/h3-5H2,1-2H3
InChIKeyFKCBQSDSAJSHIR-UHFFFAOYSA-N
MW122.16 g/mol
LogP2.83
Rot. Bonds3

About 2,2-difluorohexane

2,2-difluorohexane (PubChem CID 12545904) has the molecular formula C6H12F2 and a molecular weight of 122.16 g/mol. Its IUPAC name is 2,2-difluorohexane.

Molecular Properties

Compound Name2,2-difluorohexane
PubChem CID12545904
Molecular FormulaC6H12F2
Molecular Weight122.16 g/mol
Exact Mass122.09
IUPAC Name2,2-difluorohexane
SMILESCCCCC(C)(F)F
InChIInChI=1S/C6H12F2/c1-3-4-5-6(2,7)8/h3-5H2,1-2H3
InChIKeyFKCBQSDSAJSHIR-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.16
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorohexane?
The IUPAC name of 2,2-difluorohexane (CID 12545904) is 2,2-difluorohexane.
What is the SMILES notation for 2,2-difluorohexane?
The canonical SMILES for 2,2-difluorohexane is CCCCC(C)(F)F.
What is the InChIKey of 2,2-difluorohexane?
The InChIKey is FKCBQSDSAJSHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2/c1-3-4-5-6(2,7)8/h3-5H2,1-2H3.
What are the key properties of 2,2-difluorohexane?
2,2-difluorohexane has a molecular weight of 122.16 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorohexane is sourced from PubChem (CID 12545904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).