(2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol

C11H14F3NO — CID 134960749

IUPAC(2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol
SMILESCN[C@@H](C)[C@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-8(15-2)10(16,11(12,13)14)9-6-4-3-5-7-9/h3-8,15-16H,1-2H3/t8-,10-/m0/s1
InChIKeyNCUUDGQWAGYHQC-WPRPVWTQSA-N
MW233.23 g/mol
LogP2.04
Rot. Bonds3

About (2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol

(2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol (PubChem CID 134960749) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is (2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol
PubChem CID134960749
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name(2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol
SMILESCN[C@@H](C)[C@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-8(15-2)10(16,11(12,13)14)9-6-4-3-5-7-9/h3-8,15-16H,1-2H3/t8-,10-/m0/s1
InChIKeyNCUUDGQWAGYHQC-WPRPVWTQSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
CID 89263226
(2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol
CID 125488796
1-phenyl-2-(trifluoromethoxy)propane-1,1-diol
CID 141388332
1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine
CID 66205754
1,1-difluoro-1-phenylpropan-2-ol
CID 23235127
(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol
CID 129362138
2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 117068774
(2S,3S)-4,4,5,5,6,6,7,7,7-nonafluoro-3-hydroxy-2-methyl-3-phenylheptanamide
CID 132934571
methylamino(phenyl)methanediol
CID 89244016
4-[1,1-difluoro-2-(methylamino)propyl]phenol
CID 105453365
1-(methylamino)-1,1-diphenylpropan-2-ol
CID 139632389
(2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol
CID 125488532

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol?
The IUPAC name of (2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol (CID 134960749) is (2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol?
The canonical SMILES for (2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol is CN[C@@H](C)[C@](O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol?
The InChIKey is NCUUDGQWAGYHQC-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8(15-2)10(16,11(12,13)14)9-6-4-3-5-7-9/h3-8,15-16H,1-2H3/t8-,10-/m0/s1.
What are the key properties of (2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol?
(2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol is sourced from PubChem (CID 134960749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).