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

C13H17F4NO — CID 55183941

IUPAC(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
SMILESCCCN(CC(F)(F)F)c1cccc(F)c1[C@H](C)O
InChIInChI=1S/C13H17F4NO/c1-3-7-18(8-13(15,16)17)11-6-4-5-10(14)12(11)9(2)19/h4-6,9,19H,3,7-8H2,1-2H3/t9-/m0/s1
InChIKeyFHZLNPGADGIBJU-VIFPVBQESA-N
MW279.28 g/mol
LogP3.66
Rot. Bonds5

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

(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol (PubChem CID 55183941) has the molecular formula C13H17F4NO and a molecular weight of 279.28 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
PubChem CID55183941
Molecular FormulaC13H17F4NO
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC Name(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
SMILESCCCN(CC(F)(F)F)c1cccc(F)c1[C@H](C)O
InChIInChI=1S/C13H17F4NO/c1-3-7-18(8-13(15,16)17)11-6-4-5-10(14)12(11)9(2)19/h4-6,9,19H,3,7-8H2,1-2H3/t9-/m0/s1
InChIKeyFHZLNPGADGIBJU-VIFPVBQESA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide
CID 54984732
(1R)-1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanol
CID 63371083
1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone
CID 55010180
(1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol
CID 63372772
1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol
CID 82939297
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 79519200
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63965516
(1R)-1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955151
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539
(1S)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 78939528
(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 63370786

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol (CID 55183941) is (1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol is CCCN(CC(F)(F)F)c1cccc(F)c1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol?
The InChIKey is FHZLNPGADGIBJU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17F4NO/c1-3-7-18(8-13(15,16)17)11-6-4-5-10(14)12(11)9(2)19/h4-6,9,19H,3,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol?
(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol has a molecular weight of 279.28 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol is sourced from PubChem (CID 55183941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).