(6-fluorocyclohexen-1-yl)benzene

C12H13F — CID 102284062

IUPAC(6-fluorocyclohexen-1-yl)benzene
SMILESFC1CCCC=C1c1ccccc1
InChIInChI=1S/C12H13F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-8,12H,4-5,9H2
InChIKeyLRHPJLVSIUMYOX-UHFFFAOYSA-N
MW176.23 g/mol
LogP3.59
Rot. Bonds1

About (6-fluorocyclohexen-1-yl)benzene

(6-fluorocyclohexen-1-yl)benzene (PubChem CID 102284062) has the molecular formula C12H13F and a molecular weight of 176.23 g/mol. Its IUPAC name is (6-fluorocyclohexen-1-yl)benzene.

Molecular Properties

Compound Name(6-fluorocyclohexen-1-yl)benzene
PubChem CID102284062
Molecular FormulaC12H13F
Molecular Weight176.23 g/mol
Exact Mass176.10
IUPAC Name(6-fluorocyclohexen-1-yl)benzene
SMILESFC1CCCC=C1c1ccccc1
InChIInChI=1S/C12H13F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-8,12H,4-5,9H2
InChIKeyLRHPJLVSIUMYOX-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (6-fluorocyclohexen-1-yl)benzene?
The IUPAC name of (6-fluorocyclohexen-1-yl)benzene (CID 102284062) is (6-fluorocyclohexen-1-yl)benzene.
What is the SMILES notation for (6-fluorocyclohexen-1-yl)benzene?
The canonical SMILES for (6-fluorocyclohexen-1-yl)benzene is FC1CCCC=C1c1ccccc1.
What is the InChIKey of (6-fluorocyclohexen-1-yl)benzene?
The InChIKey is LRHPJLVSIUMYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-8,12H,4-5,9H2.
What are the key properties of (6-fluorocyclohexen-1-yl)benzene?
(6-fluorocyclohexen-1-yl)benzene has a molecular weight of 176.23 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluorocyclohexen-1-yl)benzene is sourced from PubChem (CID 102284062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).