(1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol

C13H15F4NO — CID 63372772

IUPAC(1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H15F4NO/c1-8(19)12-10(14)3-2-4-11(12)18(9-5-6-9)7-13(15,16)17/h2-4,8-9,19H,5-7H2,1H3/t8-/m1/s1
InChIKeyBTGZHNHVRSQNGF-MRVPVSSYSA-N
MW277.26 g/mol
LogP3.41
Rot. Bonds4

About (1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol

(1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol (PubChem CID 63372772) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is (1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol
PubChem CID63372772
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name(1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H15F4NO/c1-8(19)12-10(14)3-2-4-11(12)18(9-5-6-9)7-13(15,16)17/h2-4,8-9,19H,5-7H2,1H3/t8-/m1/s1
InChIKeyBTGZHNHVRSQNGF-MRVPVSSYSA-N
XLogP3.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55189954
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475
(1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol
CID 63371267
(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55183941
(1R)-1-[2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63371251
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
CID 43264288
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline
CID 55189077
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78954480
1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 43570328
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63965516

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol (CID 63372772) is (1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol is C[C@@H](O)c1c(F)cccc1N(CC(F)(F)F)C1CC1.
What is the InChIKey of (1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol?
The InChIKey is BTGZHNHVRSQNGF-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-8(19)12-10(14)3-2-4-11(12)18(9-5-6-9)7-13(15,16)17/h2-4,8-9,19H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol?
(1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol has a molecular weight of 277.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol is sourced from PubChem (CID 63372772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).