(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol

C10H12F3NO — CID 1477381

IUPAC(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
SMILESO[C@H](CNCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)9(15)7-14-6-8-4-2-1-3-5-8/h1-5,9,14-15H,6-7H2/t9-/m1/s1
InChIKeyNKTRJOFXPSASPC-SECBINFHSA-N
MW219.21 g/mol
LogP1.70
Rot. Bonds4

About (2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol

(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 1477381) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID1477381
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
SMILESO[C@H](CNCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)9(15)7-14-6-8-4-2-1-3-5-8/h1-5,9,14-15H,6-7H2/t9-/m1/s1
InChIKeyNKTRJOFXPSASPC-SECBINFHSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(benzylamino)-1,1,1-trichloropropan-2-ol
CID 131850472
3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol
CID 114093162
1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 63901679
1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 2783073
methyl 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzoate
CID 103920556
2-(benzylamino)-1-(4-phenylphenyl)ethanol
CID 12526842
(2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol
CID 11955347
(2S)-1-(benzylamino)propan-2-ol
CID 964914
(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 94190174
(2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol
CID 98082111
1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 103851384
(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol (CID 1477381) is (2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol is O[C@H](CNCc1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is NKTRJOFXPSASPC-SECBINFHSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)9(15)7-14-6-8-4-2-1-3-5-8/h1-5,9,14-15H,6-7H2/t9-/m1/s1.
What are the key properties of (2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol?
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 219.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 1477381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).