1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene

C18H18F2 — CID 91409982

IUPAC1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
SMILESFc1ccccc1C1CCCCC1c1ccccc1F
InChIInChI=1S/C18H18F2/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)20/h3-6,9-14H,1-2,7-8H2
InChIKeyWSMZNROXKITNDV-UHFFFAOYSA-N
MW272.34 g/mol
LogP5.41
Rot. Bonds2

About 1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene

1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene (PubChem CID 91409982) has the molecular formula C18H18F2 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
PubChem CID91409982
Molecular FormulaC18H18F2
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
SMILESFc1ccccc1C1CCCCC1c1ccccc1F
InChIInChI=1S/C18H18F2/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)20/h3-6,9-14H,1-2,7-8H2
InChIKeyWSMZNROXKITNDV-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.34
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene?
The IUPAC name of 1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene (CID 91409982) is 1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene.
What is the SMILES notation for 1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene?
The canonical SMILES for 1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene is Fc1ccccc1C1CCCCC1c1ccccc1F.
What is the InChIKey of 1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene?
The InChIKey is WSMZNROXKITNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)20/h3-6,9-14H,1-2,7-8H2.
What are the key properties of 1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene?
1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene has a molecular weight of 272.34 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene is sourced from PubChem (CID 91409982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).