(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol

C13H18F3NO — CID 78940775

IUPAC(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
SMILESCC(C)N(CC(F)(F)F)c1ccccc1[C@H](C)O
InChIInChI=1S/C13H18F3NO/c1-9(2)17(8-13(14,15)16)12-7-5-4-6-11(12)10(3)18/h4-7,9-10,18H,8H2,1-3H3/t10-/m0/s1
InChIKeyWEHIYCIJJVGSOB-JTQLQIEISA-N
MW261.29 g/mol
LogP3.52
Rot. Bonds4

About (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol

(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol (PubChem CID 78940775) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
PubChem CID78940775
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
SMILESCC(C)N(CC(F)(F)F)c1ccccc1[C@H](C)O
InChIInChI=1S/C13H18F3NO/c1-9(2)17(8-13(14,15)16)12-7-5-4-6-11(12)10(3)18/h4-7,9-10,18H,8H2,1-3H3/t10-/m0/s1
InChIKeyWEHIYCIJJVGSOB-JTQLQIEISA-N
XLogP3.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol (CID 78940775) is (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol is CC(C)N(CC(F)(F)F)c1ccccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol?
The InChIKey is WEHIYCIJJVGSOB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18F3NO/c1-9(2)17(8-13(14,15)16)12-7-5-4-6-11(12)10(3)18/h4-7,9-10,18H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol?
(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol has a molecular weight of 261.29 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol is sourced from PubChem (CID 78940775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).