(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol

C9H9ClF3NO — CID 131607985

IUPAC(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESN[C@H](c1ccc(Cl)cc1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO/c10-6-3-1-5(2-4-6)7(14)8(15)9(11,12)13/h1-4,7-8,15H,14H2/t7-,8-/m1/s1
InChIKeyBTZOXWLZWJHSOT-HTQZYQBOSA-N
MW239.62 g/mol
LogP2.26
Rot. Bonds2

About (2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol

(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 131607985) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is (2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID131607985
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESN[C@H](c1ccc(Cl)cc1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO/c10-6-3-1-5(2-4-6)7(14)8(15)9(11,12)13/h1-4,7-8,15H,14H2/t7-,8-/m1/s1
InChIKeyBTZOXWLZWJHSOT-HTQZYQBOSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 171161829
1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309498
4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-chlorophenol
CID 171261786
(2R,3R)-3-amino-3-(2-chloro-3,6-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171263961
(2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171159862
(2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171268477
(2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171162634
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
2-[(1S,2S)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-4-chlorophenol;hydrochloride
CID 171162014
(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 121438908
(2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171265661
1-(4-chlorophenyl)-3,3-dimethylbutane-1,2-diamine
CID 69494037

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol (CID 131607985) is (2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol is N[C@H](c1ccc(Cl)cc1)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is BTZOXWLZWJHSOT-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c10-6-3-1-5(2-4-6)7(14)8(15)9(11,12)13/h1-4,7-8,15H,14H2/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 239.62 g/mol, XLogP of 2.26, 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-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 131607985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).