2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one

C14H18F3NO — CID 55010357

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one
SMILESCCC(C(=O)c1ccccc1)N(CC)CC(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-3-12(18(4-2)10-14(15,16)17)13(19)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyYJDOELRXAHBOJP-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.53
Rot. Bonds6

About 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one

2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one (PubChem CID 55010357) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one
PubChem CID55010357
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one
SMILESCCC(C(=O)c1ccccc1)N(CC)CC(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-3-12(18(4-2)10-14(15,16)17)13(19)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyYJDOELRXAHBOJP-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one
CID 107481265
N-methyl-2-[(1-oxo-1-phenylbutan-2-yl)-propylamino]acetamide
CID 62035767
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 64693783
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
CID 112662034
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 103103066
3-[ethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanethioamide
CID 55117640
2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one
CID 62031886
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 62037391
2-fluoro-3-methyl-1-phenylpentan-1-one
CID 10965397
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]-N,N-dimethylacetamide
CID 60864172

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one (CID 55010357) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one is CCC(C(=O)c1ccccc1)N(CC)CC(F)(F)F.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one?
The InChIKey is YJDOELRXAHBOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-3-12(18(4-2)10-14(15,16)17)13(19)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3.
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one?
2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one has a molecular weight of 273.30 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one is sourced from PubChem (CID 55010357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).