1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one

C14H19ClFNO — CID 107884029

IUPAC1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one
SMILESCCC(C)(C(=O)Cc1ccc(Cl)c(F)c1)N(C)C
InChIInChI=1S/C14H19ClFNO/c1-5-14(2,17(3)4)13(18)9-10-6-7-11(15)12(16)8-10/h6-8H,5,9H2,1-4H3
InChIKeyOYPRMTNIOBUKRL-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one

1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one (PubChem CID 107884029) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one
PubChem CID107884029
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one
SMILESCCC(C)(C(=O)Cc1ccc(Cl)c(F)c1)N(C)C
InChIInChI=1S/C14H19ClFNO/c1-5-14(2,17(3)4)13(18)9-10-6-7-11(15)12(16)8-10/h6-8H,5,9H2,1-4H3
InChIKeyOYPRMTNIOBUKRL-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylpentan-2-one
CID 107884147
1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one
CID 130985316
3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one
CID 79062956
1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79062065
1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one
CID 107884157
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556
1-(4-chloro-3-fluorophenyl)-4-methylpent-3-en-2-one
CID 107884163
2-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentanoic acid
CID 107883005
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
1-(4-chloro-3-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 107890407
1-(3-chloro-4-fluorophenyl)-3-ethyl-3-methoxypentan-2-one
CID 103039516
3-amino-1-(4-chloro-3-fluorophenyl)hexan-2-one
CID 107890466

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one (CID 107884029) is 1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one is CCC(C)(C(=O)Cc1ccc(Cl)c(F)c1)N(C)C.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one?
The InChIKey is OYPRMTNIOBUKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-5-14(2,17(3)4)13(18)9-10-6-7-11(15)12(16)8-10/h6-8H,5,9H2,1-4H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one?
1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one has a molecular weight of 271.76 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one is sourced from PubChem (CID 107884029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).