1-bromo-2,3-difluorocyclohexane

C6H9BrF2 — CID 118181696

IUPAC1-bromo-2,3-difluorocyclohexane
SMILESFC1CCCC(Br)C1F
InChIInChI=1S/C6H9BrF2/c7-4-2-1-3-5(8)6(4)9/h4-6H,1-3H2
InChIKeyKEQRKFWVHKHMDF-UHFFFAOYSA-N
MW199.04 g/mol
LogP2.61
Rot. Bonds

About 1-bromo-2,3-difluorocyclohexane

1-bromo-2,3-difluorocyclohexane (PubChem CID 118181696) has the molecular formula C6H9BrF2 and a molecular weight of 199.04 g/mol. Its IUPAC name is 1-bromo-2,3-difluorocyclohexane.

Molecular Properties

Compound Name1-bromo-2,3-difluorocyclohexane
PubChem CID118181696
Molecular FormulaC6H9BrF2
Molecular Weight199.04 g/mol
Exact Mass197.99
IUPAC Name1-bromo-2,3-difluorocyclohexane
SMILESFC1CCCC(Br)C1F
InChIInChI=1S/C6H9BrF2/c7-4-2-1-3-5(8)6(4)9/h4-6H,1-3H2
InChIKeyKEQRKFWVHKHMDF-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.04
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-difluorocyclohexane?
The IUPAC name of 1-bromo-2,3-difluorocyclohexane (CID 118181696) is 1-bromo-2,3-difluorocyclohexane.
What is the SMILES notation for 1-bromo-2,3-difluorocyclohexane?
The canonical SMILES for 1-bromo-2,3-difluorocyclohexane is FC1CCCC(Br)C1F.
What is the InChIKey of 1-bromo-2,3-difluorocyclohexane?
The InChIKey is KEQRKFWVHKHMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrF2/c7-4-2-1-3-5(8)6(4)9/h4-6H,1-3H2.
What are the key properties of 1-bromo-2,3-difluorocyclohexane?
1-bromo-2,3-difluorocyclohexane has a molecular weight of 199.04 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-difluorocyclohexane is sourced from PubChem (CID 118181696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).