(4-fluorophenyl)-phenylmethanone

C26H18F2O2 — CID 161464622

IUPAC(4-fluorophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(F)cc1.O=C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/2C13H9FO/c2*14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h2*1-9H
InChIKeyWCGLNBVMMIMSDV-UHFFFAOYSA-N
MW400.42 g/mol
LogP6.11
Rot. Bonds4

About (4-fluorophenyl)-phenylmethanone

(4-fluorophenyl)-phenylmethanone (PubChem CID 161464622) has the molecular formula C26H18F2O2 and a molecular weight of 400.42 g/mol. Its IUPAC name is (4-fluorophenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-fluorophenyl)-phenylmethanone
PubChem CID161464622
Molecular FormulaC26H18F2O2
Molecular Weight400.42 g/mol
Exact Mass400.13
IUPAC Name(4-fluorophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(F)cc1.O=C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/2C13H9FO/c2*14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h2*1-9H
InChIKeyWCGLNBVMMIMSDV-UHFFFAOYSA-N
XLogP6.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.42
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

adamantane;(4-fluorophenyl)-phenylmethanone
CID 174728613
diphenylmethanone;4-fluoroaniline
CID 174706224
diphenylmethanone
CID 3102
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
[3,4-bis(4-fluorophenyl)phenyl]-phenylmethanone
CID 46188813
[4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone
CID 95049071
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-phenylmethanone?
The IUPAC name of (4-fluorophenyl)-phenylmethanone (CID 161464622) is (4-fluorophenyl)-phenylmethanone.
What is the SMILES notation for (4-fluorophenyl)-phenylmethanone?
The canonical SMILES for (4-fluorophenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(F)cc1.O=C(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-phenylmethanone?
The InChIKey is WCGLNBVMMIMSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9FO/c2*14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h2*1-9H.
What are the key properties of (4-fluorophenyl)-phenylmethanone?
(4-fluorophenyl)-phenylmethanone has a molecular weight of 400.42 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-phenylmethanone is sourced from PubChem (CID 161464622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).