(2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride

C11H15ClF3NO — CID 171262249

IUPAC(2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCc1cccc(C)c1[C@@H](N)[C@@H](O)C(F)(F)F.Cl
InChIInChI=1S/C11H14F3NO.ClH/c1-6-4-3-5-7(2)8(6)9(15)10(16)11(12,13)14;/h3-5,9-10,16H,15H2,1-2H3;1H/t9-,10-;/m1./s1
InChIKeySXZRZZXRPVASRJ-DHTOPLTISA-N
MW269.69 g/mol
LogP2.65
Rot. Bonds2

About (2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride

(2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride (PubChem CID 171262249) has the molecular formula C11H15ClF3NO and a molecular weight of 269.69 g/mol. Its IUPAC name is (2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
PubChem CID171262249
Molecular FormulaC11H15ClF3NO
Molecular Weight269.69 g/mol
Exact Mass269.08
IUPAC Name(2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCc1cccc(C)c1[C@@H](N)[C@@H](O)C(F)(F)F.Cl
InChIInChI=1S/C11H14F3NO.ClH/c1-6-4-3-5-7(2)8(6)9(15)10(16)11(12,13)14;/h3-5,9-10,16H,15H2,1-2H3;1H/t9-,10-;/m1./s1
InChIKeySXZRZZXRPVASRJ-DHTOPLTISA-N
XLogP2.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride
CID 171267758
(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol
CID 171269053
(2S,3S)-3-amino-1,1,1-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)propan-2-ol;hydrochloride
CID 171161915
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-3-methylaniline
CID 130699502
(1S)-1-(2-chloro-6-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171250005
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]phenol;hydrochloride
CID 171161014
(1S)-1-(2,6-dimethylphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311616
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
CID 171267921
(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171261516
(2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171161694
(2R,3R)-3-amino-3-(2-chloro-3,6-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171263961
(2R,3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171265878

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The IUPAC name of (2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride (CID 171262249) is (2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The canonical SMILES for (2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride is Cc1cccc(C)c1[C@@H](N)[C@@H](O)C(F)(F)F.Cl.
What is the InChIKey of (2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The InChIKey is SXZRZZXRPVASRJ-DHTOPLTISA-N. The full InChI is InChI=1S/C11H14F3NO.ClH/c1-6-4-3-5-7(2)8(6)9(15)10(16)11(12,13)14;/h3-5,9-10,16H,15H2,1-2H3;1H/t9-,10-;/m1./s1.
What are the key properties of (2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
(2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride has a molecular weight of 269.69 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride is sourced from PubChem (CID 171262249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).