(2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol

C9H8F5NO — CID 66515547

IUPAC(2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol
SMILESN[C@H](CO)c1cc(F)c(F)cc1C(F)(F)F
InChIInChI=1S/C9H8F5NO/c10-6-1-4(8(15)3-16)5(2-7(6)11)9(12,13)14/h1-2,8,16H,3,15H2/t8-/m1/s1
InChIKeyGVQDHOXDGJMRJR-MRVPVSSYSA-N
MW241.16 g/mol
LogP1.98
Rot. Bonds2

About (2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol

(2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol (PubChem CID 66515547) has the molecular formula C9H8F5NO and a molecular weight of 241.16 g/mol. Its IUPAC name is (2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol
PubChem CID66515547
Molecular FormulaC9H8F5NO
Molecular Weight241.16 g/mol
Exact Mass241.05
IUPAC Name(2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol
SMILESN[C@H](CO)c1cc(F)c(F)cc1C(F)(F)F
InChIInChI=1S/C9H8F5NO/c10-6-1-4(8(15)3-16)5(2-7(6)11)9(12,13)14/h1-2,8,16H,3,15H2/t8-/m1/s1
InChIKeyGVQDHOXDGJMRJR-MRVPVSSYSA-N
XLogP1.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol (CID 66515547) is (2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol is N[C@H](CO)c1cc(F)c(F)cc1C(F)(F)F.
What is the InChIKey of (2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is GVQDHOXDGJMRJR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8F5NO/c10-6-1-4(8(15)3-16)5(2-7(6)11)9(12,13)14/h1-2,8,16H,3,15H2/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol?
(2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 241.16 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 66515547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).