5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one

C21H19FO2 — CID 157494437

IUPAC5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one
SMILESO=C(CCCc1ccc(-c2ccccc2F)cc1)Cc1ccco1
InChIInChI=1S/C21H19FO2/c22-21-9-2-1-8-20(21)17-12-10-16(11-13-17)5-3-6-18(23)15-19-7-4-14-24-19/h1-2,4,7-14H,3,5-6,15H2
InChIKeyBXQRYIUZPLSPDU-UHFFFAOYSA-N
MW322.38 g/mol
LogP5.22
Rot. Bonds7

About 5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one

5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one (PubChem CID 157494437) has the molecular formula C21H19FO2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one
PubChem CID157494437
Molecular FormulaC21H19FO2
Molecular Weight322.38 g/mol
Exact Mass322.14
IUPAC Name5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one
SMILESO=C(CCCc1ccc(-c2ccccc2F)cc1)Cc1ccco1
InChIInChI=1S/C21H19FO2/c22-21-9-2-1-8-20(21)17-12-10-16(11-13-17)5-3-6-18(23)15-19-7-4-14-24-19/h1-2,4,7-14H,3,5-6,15H2
InChIKeyBXQRYIUZPLSPDU-UHFFFAOYSA-N
XLogP5.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.38
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one
CID 158114835
4-[4-(2-fluorophenyl)phenyl]-N-(furan-2-yl)butanamide
CID 139380465
1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one
CID 157389572
6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one
CID 161222823
1-(furan-2-yl)hexan-2-one
CID 3115857
4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide
CID 162181441
4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide
CID 138674464
1-(furan-2-yl)-6-methylheptan-2-one
CID 123946123
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
1-(4-fluorophenyl)-5-phenylpentan-2-one
CID 61079516
1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172819
5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one
CID 161496887

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one?
The IUPAC name of 5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one (CID 157494437) is 5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one.
What is the SMILES notation for 5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one?
The canonical SMILES for 5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one is O=C(CCCc1ccc(-c2ccccc2F)cc1)Cc1ccco1.
What is the InChIKey of 5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one?
The InChIKey is BXQRYIUZPLSPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO2/c22-21-9-2-1-8-20(21)17-12-10-16(11-13-17)5-3-6-18(23)15-19-7-4-14-24-19/h1-2,4,7-14H,3,5-6,15H2.
What are the key properties of 5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one?
5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one has a molecular weight of 322.38 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one is sourced from PubChem (CID 157494437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).