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

C9H8ClF4NO — CID 171159862

IUPAC(2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESN[C@H](c1ccc(Cl)cc1F)[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H8ClF4NO/c10-4-1-2-5(6(11)3-4)7(15)8(16)9(12,13)14/h1-3,7-8,16H,15H2/t7-,8-/m1/s1
InChIKeyRUFDWYHOYGDMHE-HTQZYQBOSA-N
MW257.61 g/mol
LogP2.40
Rot. Bonds2

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

(2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 171159862) has the molecular formula C9H8ClF4NO and a molecular weight of 257.61 g/mol. Its IUPAC name is (2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID171159862
Molecular FormulaC9H8ClF4NO
Molecular Weight257.61 g/mol
Exact Mass257.02
IUPAC Name(2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESN[C@H](c1ccc(Cl)cc1F)[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H8ClF4NO/c10-4-1-2-5(6(11)3-4)7(15)8(16)9(12,13)14/h1-3,7-8,16H,15H2/t7-,8-/m1/s1
InChIKeyRUFDWYHOYGDMHE-HTQZYQBOSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.61
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171162634
2-[(1S,2S)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-4-chlorophenol;hydrochloride
CID 171162014
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
(1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171236858
(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 131607985
(2R,3R)-3-amino-3-(2-chloro-3,6-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171263961
(2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 89490664
(2S,3S)-3-amino-1,1,1-trifluoro-3-(2,3,5-trichlorophenyl)propan-2-ol
CID 171270878
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
CID 171161275
(2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171265661
1-(4-chloro-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 103457370
(2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171161694

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol (CID 171159862) is (2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol is N[C@H](c1ccc(Cl)cc1F)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is RUFDWYHOYGDMHE-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H8ClF4NO/c10-4-1-2-5(6(11)3-4)7(15)8(16)9(12,13)14/h1-3,7-8,16H,15H2/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol?
(2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 257.61 g/mol, XLogP of 2.40, 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-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 171159862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).