1-fluoro-4-phenylbenzene

C12H9F — CID 9461

IUPAC1-fluoro-4-phenylbenzene
SMILESFc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9F/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyRUYZJEIKQYLEGZ-UHFFFAOYSA-N
MW172.20 g/mol
LogP3.49
Rot. Bonds1

About 1-fluoro-4-phenylbenzene

1-fluoro-4-phenylbenzene (PubChem CID 9461) has the molecular formula C12H9F and a molecular weight of 172.20 g/mol. Its IUPAC name is 1-fluoro-4-phenylbenzene.

Molecular Properties

Compound Name1-fluoro-4-phenylbenzene
PubChem CID9461
Molecular FormulaC12H9F
Molecular Weight172.20 g/mol
Exact Mass172.07
IUPAC Name1-fluoro-4-phenylbenzene
SMILESFc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9F/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyRUYZJEIKQYLEGZ-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Naphthalene
CID 931
Biphenyl
CID 7095
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
Tetralin
CID 8404
Cumene
CID 7406
Butylbenzene
CID 7705
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
Tert-Butylbenzene
CID 7366
M-Terphenyl
CID 7076

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-phenylbenzene?
The IUPAC name of 1-fluoro-4-phenylbenzene (CID 9461) is 1-fluoro-4-phenylbenzene.
What is the SMILES notation for 1-fluoro-4-phenylbenzene?
The canonical SMILES for 1-fluoro-4-phenylbenzene is Fc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-fluoro-4-phenylbenzene?
The InChIKey is RUYZJEIKQYLEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-fluoro-4-phenylbenzene?
1-fluoro-4-phenylbenzene has a molecular weight of 172.20 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-phenylbenzene is sourced from PubChem (CID 9461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).