1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone

C13H15F4NO — CID 55010180

IUPAC1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone
SMILESCCCN(CC(F)(F)F)c1cccc(F)c1C(C)=O
InChIInChI=1S/C13H15F4NO/c1-3-7-18(8-13(15,16)17)11-6-4-5-10(14)12(11)9(2)19/h4-6H,3,7-8H2,1-2H3
InChIKeyKFXOYNRJCNYDNJ-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.81
Rot. Bonds5

About 1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone

1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone (PubChem CID 55010180) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone
PubChem CID55010180
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone
SMILESCCCN(CC(F)(F)F)c1cccc(F)c1C(C)=O
InChIInChI=1S/C13H15F4NO/c1-3-7-18(8-13(15,16)17)11-6-4-5-10(14)12(11)9(2)19/h4-6H,3,7-8H2,1-2H3
InChIKeyKFXOYNRJCNYDNJ-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 79519200
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid
CID 79522128
1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone
CID 60678476
(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55183941
2-bromo-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 114883728
[3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol
CID 114067470
1-[2-(N-butylanilino)-6-fluorophenyl]ethanone
CID 64584809
ethyl 2-amino-3-[propyl(2,2,2-trifluoroethyl)amino]benzoate
CID 115545578
3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]benzaldehyde
CID 114067083
1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone
CID 60678602
2-amino-3-[propyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 115992553
2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008675

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone (CID 55010180) is 1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone is CCCN(CC(F)(F)F)c1cccc(F)c1C(C)=O.
What is the InChIKey of 1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone?
The InChIKey is KFXOYNRJCNYDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-3-7-18(8-13(15,16)17)11-6-4-5-10(14)12(11)9(2)19/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone?
1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone has a molecular weight of 277.26 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone is sourced from PubChem (CID 55010180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).