(2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride

C9H9Cl3F3NO — CID 171162634

IUPAC(2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)cc1Cl)[C@H](O)C(F)(F)F
InChIInChI=1S/C9H8Cl2F3NO.ClH/c10-4-1-2-5(6(11)3-4)7(15)8(16)9(12,13)14;/h1-3,7-8,16H,15H2;1H/t7-,8-;/m0./s1
InChIKeyKHIQCKVHMLZSKZ-WSZWBAFRSA-N
MW310.53 g/mol
LogP3.34
Rot. Bonds2

About (2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride

(2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride (PubChem CID 171162634) has the molecular formula C9H9Cl3F3NO and a molecular weight of 310.53 g/mol. Its IUPAC name is (2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
PubChem CID171162634
Molecular FormulaC9H9Cl3F3NO
Molecular Weight310.53 g/mol
Exact Mass308.97
IUPAC Name(2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)cc1Cl)[C@H](O)C(F)(F)F
InChIInChI=1S/C9H8Cl2F3NO.ClH/c10-4-1-2-5(6(11)3-4)7(15)8(16)9(12,13)14;/h1-3,7-8,16H,15H2;1H/t7-,8-;/m0./s1
InChIKeyKHIQCKVHMLZSKZ-WSZWBAFRSA-N
XLogP3.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171159862
2-[(1S,2S)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-4-chlorophenol;hydrochloride
CID 171162014
(2S,3S)-3-amino-1,1,1-trifluoro-3-(2,3,5-trichlorophenyl)propan-2-ol
CID 171270878
(1R,3R)-3-amino-1-(2,4-dichlorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237914
(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 131607985
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4-dichlorophenyl)ethanol;hydrochloride
CID 171162618
(2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171265661
(2R,3R)-3-amino-3-(2-chloro-3,6-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171263961
(2R,3R)-3-amino-1,1,1-trifluoro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171266107
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]phenol;hydrochloride
CID 171161014
2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene
CID 55198798
(2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171261701

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The IUPAC name of (2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride (CID 171162634) is (2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride.
What is the SMILES notation for (2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The canonical SMILES for (2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride is Cl.N[C@@H](c1ccc(Cl)cc1Cl)[C@H](O)C(F)(F)F.
What is the InChIKey of (2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The InChIKey is KHIQCKVHMLZSKZ-WSZWBAFRSA-N. The full InChI is InChI=1S/C9H8Cl2F3NO.ClH/c10-4-1-2-5(6(11)3-4)7(15)8(16)9(12,13)14;/h1-3,7-8,16H,15H2;1H/t7-,8-;/m0./s1.
What are the key properties of (2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
(2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride has a molecular weight of 310.53 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride is sourced from PubChem (CID 171162634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).