4-(difluoromethyl)octane

C9H18F2 — CID 14909954

IUPAC4-(difluoromethyl)octane
SMILESCCCCC(CCC)C(F)F
InChIInChI=1S/C9H18F2/c1-3-5-7-8(6-4-2)9(10)11/h8-9H,3-7H2,1-2H3
InChIKeyNRNBMPYTBLAGDC-UHFFFAOYSA-N
MW164.24 g/mol
LogP3.86
Rot. Bonds6

About 4-(difluoromethyl)octane

4-(difluoromethyl)octane (PubChem CID 14909954) has the molecular formula C9H18F2 and a molecular weight of 164.24 g/mol. Its IUPAC name is 4-(difluoromethyl)octane.

Molecular Properties

Compound Name4-(difluoromethyl)octane
PubChem CID14909954
Molecular FormulaC9H18F2
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Name4-(difluoromethyl)octane
SMILESCCCCC(CCC)C(F)F
InChIInChI=1S/C9H18F2/c1-3-5-7-8(6-4-2)9(10)11/h8-9H,3-7H2,1-2H3
InChIKeyNRNBMPYTBLAGDC-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)octane?
The IUPAC name of 4-(difluoromethyl)octane (CID 14909954) is 4-(difluoromethyl)octane.
What is the SMILES notation for 4-(difluoromethyl)octane?
The canonical SMILES for 4-(difluoromethyl)octane is CCCCC(CCC)C(F)F.
What is the InChIKey of 4-(difluoromethyl)octane?
The InChIKey is NRNBMPYTBLAGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2/c1-3-5-7-8(6-4-2)9(10)11/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(difluoromethyl)octane?
4-(difluoromethyl)octane has a molecular weight of 164.24 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)octane is sourced from PubChem (CID 14909954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).