1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one

C14H15BrF3NO — CID 62611835

IUPAC1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one
SMILESO=C(CCN(CC(F)(F)F)C1CC1)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrF3NO/c15-11-3-1-10(2-4-11)13(20)7-8-19(12-5-6-12)9-14(16,17)18/h1-4,12H,5-9H2
InChIKeyDZUSQMSGJWBDCL-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.05
Rot. Bonds6

About 1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one

1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one (PubChem CID 62611835) has the molecular formula C14H15BrF3NO and a molecular weight of 350.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one
PubChem CID62611835
Molecular FormulaC14H15BrF3NO
Molecular Weight350.18 g/mol
Exact Mass349.03
IUPAC Name1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one
SMILESO=C(CCN(CC(F)(F)F)C1CC1)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrF3NO/c15-11-3-1-10(2-4-11)13(20)7-8-19(12-5-6-12)9-14(16,17)18/h1-4,12H,5-9H2
InChIKeyDZUSQMSGJWBDCL-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 62611994
1-(4-bromophenyl)-4-[cyclopropyl(cyclopropylmethyl)amino]butan-1-one
CID 64522575
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126268
1-(4-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794927
1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one
CID 62612491
1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892158
1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864528
3-[butyl(cyclopropyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 61445346
1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one
CID 63483558
4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554727
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one
CID 62618347

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one (CID 62611835) is 1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one is O=C(CCN(CC(F)(F)F)C1CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one?
The InChIKey is DZUSQMSGJWBDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO/c15-11-3-1-10(2-4-11)13(20)7-8-19(12-5-6-12)9-14(16,17)18/h1-4,12H,5-9H2.
What are the key properties of 1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one?
1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one has a molecular weight of 350.18 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one is sourced from PubChem (CID 62611835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).