1-(4-fluorophenyl)-5-phenylpentan-2-one

C17H17FO — CID 61079516

IUPAC1-(4-fluorophenyl)-5-phenylpentan-2-one
SMILESO=C(CCCc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H17FO/c18-16-11-9-15(10-12-16)13-17(19)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2
InChIKeyYMCUSYDBLZXXFY-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.96
Rot. Bonds6

About 1-(4-fluorophenyl)-5-phenylpentan-2-one

1-(4-fluorophenyl)-5-phenylpentan-2-one (PubChem CID 61079516) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-phenylpentan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-phenylpentan-2-one
PubChem CID61079516
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name1-(4-fluorophenyl)-5-phenylpentan-2-one
SMILESO=C(CCCc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H17FO/c18-16-11-9-15(10-12-16)13-17(19)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2
InChIKeyYMCUSYDBLZXXFY-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-bromophenyl)-1-phenylpentan-2-one
CID 157218581
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one
CID 158114835
1,9-diphenylnonan-5-one
CID 23467830
8-oxo-9-phenylnonanoic acid
CID 58119944
4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 62115398
6-amino-1-phenylhexan-2-one
CID 57063081
6-(4-fluorophenyl)hexanoic acid
CID 14739735
1-methylalumanyl-7-phenylheptan-4-one
CID 173147112
1,3-diphenyl(213C)propan-2-one
CID 100945080
8-amino-1-phenyloctan-4-one
CID 116571907
1-phenyldecane-2,9-dione
CID 146832793

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-phenylpentan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-phenylpentan-2-one (CID 61079516) is 1-(4-fluorophenyl)-5-phenylpentan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-phenylpentan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-phenylpentan-2-one is O=C(CCCc1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-phenylpentan-2-one?
The InChIKey is YMCUSYDBLZXXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c18-16-11-9-15(10-12-16)13-17(19)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2.
What are the key properties of 1-(4-fluorophenyl)-5-phenylpentan-2-one?
1-(4-fluorophenyl)-5-phenylpentan-2-one has a molecular weight of 256.32 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-phenylpentan-2-one is sourced from PubChem (CID 61079516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).