1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one

C14H17F4NO — CID 62619704

IUPAC1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one
SMILESCC(C)N(CCC(=O)c1ccccc1F)CC(F)(F)F
InChIInChI=1S/C14H17F4NO/c1-10(2)19(9-14(16,17)18)8-7-13(20)11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3
InChIKeyFFLNRKBSHYEBKL-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.67
Rot. Bonds6

About 1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one

1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one (PubChem CID 62619704) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one
PubChem CID62619704
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC Name1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one
SMILESCC(C)N(CCC(=O)c1ccccc1F)CC(F)(F)F
InChIInChI=1S/C14H17F4NO/c1-10(2)19(9-14(16,17)18)8-7-13(20)11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3
InChIKeyFFLNRKBSHYEBKL-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62645290
1-(2,3-difluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 114059454
1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one
CID 113476348
1-(2-fluorophenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43219744
3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618359
3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618687
3-amino-1-(2-fluorophenyl)butan-1-one
CID 81462850
3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one
CID 102997005
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62619022
1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62630487
[(1S)-1-(4-bromophenyl)propyl]-[3-(2-fluorophenyl)-3-oxopropyl]carbamic acid
CID 66857141
3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 63956709

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one (CID 62619704) is 1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one is CC(C)N(CCC(=O)c1ccccc1F)CC(F)(F)F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one?
The InChIKey is FFLNRKBSHYEBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO/c1-10(2)19(9-14(16,17)18)8-7-13(20)11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one?
1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one has a molecular weight of 291.29 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one is sourced from PubChem (CID 62619704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).