(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride

C10H12ClF4NO2 — CID 171261516

IUPAC(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
SMILESCOc1c(F)cccc1[C@@H](N)[C@@H](O)C(F)(F)F.Cl
InChIInChI=1S/C10H11F4NO2.ClH/c1-17-8-5(3-2-4-6(8)11)7(15)9(16)10(12,13)14;/h2-4,7,9,16H,15H2,1H3;1H/t7-,9-;/m1./s1
InChIKeyGCMKNTMMSZSMEW-PRCZDLBKSA-N
MW289.66 g/mol
LogP2.18
Rot. Bonds3

About (2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride

(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride (PubChem CID 171261516) has the molecular formula C10H12ClF4NO2 and a molecular weight of 289.66 g/mol. Its IUPAC name is (2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
PubChem CID171261516
Molecular FormulaC10H12ClF4NO2
Molecular Weight289.66 g/mol
Exact Mass289.05
IUPAC Name(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
SMILESCOc1c(F)cccc1[C@@H](N)[C@@H](O)C(F)(F)F.Cl
InChIInChI=1S/C10H11F4NO2.ClH/c1-17-8-5(3-2-4-6(8)11)7(15)9(16)10(12,13)14;/h2-4,7,9,16H,15H2,1H3;1H/t7-,9-;/m1./s1
InChIKeyGCMKNTMMSZSMEW-PRCZDLBKSA-N
XLogP2.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.66
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride with MolForge

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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
(1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride
CID 171261502
(2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171161694
(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171261508
(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201759
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175
(1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride
CID 171267207
(2R)-2-amino-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 121235718
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]phenol;hydrochloride
CID 171161014
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171201747
2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide
CID 117449300
(S)-(3-fluoro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240227

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride?
The IUPAC name of (2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride (CID 171261516) is (2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride is COc1c(F)cccc1[C@@H](N)[C@@H](O)C(F)(F)F.Cl.
What is the InChIKey of (2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride?
The InChIKey is GCMKNTMMSZSMEW-PRCZDLBKSA-N. The full InChI is InChI=1S/C10H11F4NO2.ClH/c1-17-8-5(3-2-4-6(8)11)7(15)9(16)10(12,13)14;/h2-4,7,9,16H,15H2,1H3;1H/t7-,9-;/m1./s1.
What are the key properties of (2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride?
(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride has a molecular weight of 289.66 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171261516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).