(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol

C10H8F7NO — CID 171269053

IUPAC(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol
SMILESN[C@@H](c1c(F)cccc1C(F)(F)F)[C@H](O)C(F)(F)F
InChIInChI=1S/C10H8F7NO/c11-5-3-1-2-4(9(12,13)14)6(5)7(18)8(19)10(15,16)17/h1-3,7-8,19H,18H2/t7-,8-/m0/s1
InChIKeySXUFCXMNIDPIOX-YUMQZZPRSA-N
MW291.17 g/mol
LogP2.77
Rot. Bonds2

About (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol

(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 171269053) has the molecular formula C10H8F7NO and a molecular weight of 291.17 g/mol. Its IUPAC name is (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID171269053
Molecular FormulaC10H8F7NO
Molecular Weight291.17 g/mol
Exact Mass291.05
IUPAC Name(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol
SMILESN[C@@H](c1c(F)cccc1C(F)(F)F)[C@H](O)C(F)(F)F
InChIInChI=1S/C10H8F7NO/c11-5-3-1-2-4(9(12,13)14)6(5)7(18)8(19)10(15,16)17/h1-3,7-8,19H,18H2/t7-,8-/m0/s1
InChIKeySXUFCXMNIDPIOX-YUMQZZPRSA-N
XLogP2.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 131585699
(1R)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242250
(1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
CID 171269045
(1R,2S)-1-amino-1-[2-fluoro-6-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol
CID 171263389
(1R,2S)-1-amino-1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-methylhexan-2-ol;hydrochloride
CID 171263388
2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
CID 77129940
(2S,3S)-3-amino-3-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 171269606
(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetamide
CID 99645736
(2S)-2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66512908
(2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171161694
(2R,3R)-3-amino-3-(2-chloro-3,6-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171263961
(2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 171263988

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol (CID 171269053) is (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol is N[C@@H](c1c(F)cccc1C(F)(F)F)[C@H](O)C(F)(F)F.
What is the InChIKey of (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is SXUFCXMNIDPIOX-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H8F7NO/c11-5-3-1-2-4(9(12,13)14)6(5)7(18)8(19)10(15,16)17/h1-3,7-8,19H,18H2/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol?
(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 291.17 g/mol, XLogP of 2.77, 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-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 171269053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).