(2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol

C10H8ClF6NO — CID 171263988

IUPAC(2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol
SMILESN[C@H](c1cccc(C(F)(F)F)c1Cl)[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H8ClF6NO/c11-6-4(7(18)8(19)10(15,16)17)2-1-3-5(6)9(12,13)14/h1-3,7-8,19H,18H2/t7-,8-/m1/s1
InChIKeySMDCMVRSSSYZTK-HTQZYQBOSA-N
MW307.62 g/mol
LogP3.28
Rot. Bonds2

About (2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol

(2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 171263988) has the molecular formula C10H8ClF6NO and a molecular weight of 307.62 g/mol. Its IUPAC name is (2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID171263988
Molecular FormulaC10H8ClF6NO
Molecular Weight307.62 g/mol
Exact Mass307.02
IUPAC Name(2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol
SMILESN[C@H](c1cccc(C(F)(F)F)c1Cl)[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H8ClF6NO/c11-6-4(7(18)8(19)10(15,16)17)2-1-3-5(6)9(12,13)14/h1-3,7-8,19H,18H2/t7-,8-/m1/s1
InChIKeySMDCMVRSSSYZTK-HTQZYQBOSA-N
XLogP3.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

(1R,2S)-1-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171263985
(1S,2R)-1-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171269660
(1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride
CID 171263981
1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
CID 78001930
(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171209424
3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170829262
ethyl (3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluoropropanoate
CID 171242809
(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242808
(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311801
(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol
CID 171269053
(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 171228970
(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-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol (CID 171263988) is (2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol is N[C@H](c1cccc(C(F)(F)F)c1Cl)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is SMDCMVRSSSYZTK-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H8ClF6NO/c11-6-4(7(18)8(19)10(15,16)17)2-1-3-5(6)9(12,13)14/h1-3,7-8,19H,18H2/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol?
(2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 307.62 g/mol, XLogP of 3.28, 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-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 171263988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).