1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one

C17H16ClFO — CID 115797326

IUPAC1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one
SMILESCCC(C(=O)Cc1cccc(F)c1Cl)c1ccccc1
InChIInChI=1S/C17H16ClFO/c1-2-14(12-7-4-3-5-8-12)16(20)11-13-9-6-10-15(19)17(13)18/h3-10,14H,2,11H2,1H3
InChIKeyNZRXOKZSQANRAX-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.78
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one

1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one (PubChem CID 115797326) has the molecular formula C17H16ClFO and a molecular weight of 290.77 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one
PubChem CID115797326
Molecular FormulaC17H16ClFO
Molecular Weight290.77 g/mol
Exact Mass290.09
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one
SMILESCCC(C(=O)Cc1cccc(F)c1Cl)c1ccccc1
InChIInChI=1S/C17H16ClFO/c1-2-14(12-7-4-3-5-8-12)16(20)11-13-9-6-10-15(19)17(13)18/h3-10,14H,2,11H2,1H3
InChIKeyNZRXOKZSQANRAX-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-1-(2-chloro-3-fluorophenyl)-3-phenylbutan-2-one
CID 116567097
3-(aminomethyl)-1-(2-chloro-3-fluorophenyl)pentan-2-one
CID 116575236
1-(2-chloro-3-fluorophenyl)-3,4-dimethylpentan-2-one
CID 115797412
1-(2,6-difluorophenyl)-2-phenylbutan-1-one
CID 114972889
3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid
CID 115983260
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
1-(2-chloro-3-fluorophenyl)-4-methylpentan-3-one
CID 112652607
1-(3-chloro-2-fluorophenyl)-3-ethylpentan-2-one
CID 82801918
(2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid
CID 104875534
3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid
CID 115983264
6-methylidene-3-phenyloctan-4-one
CID 115781087

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one (CID 115797326) is 1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one is CCC(C(=O)Cc1cccc(F)c1Cl)c1ccccc1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one?
The InChIKey is NZRXOKZSQANRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c1-2-14(12-7-4-3-5-8-12)16(20)11-13-9-6-10-15(19)17(13)18/h3-10,14H,2,11H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one?
1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one has a molecular weight of 290.77 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one is sourced from PubChem (CID 115797326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).