(2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol

C9H10F3NO — CID 66514186

IUPAC(2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol
SMILESN[C@@H](CO)c1cc(F)ccc1C(F)F
InChIInChI=1S/C9H10F3NO/c10-5-1-2-6(9(11)12)7(3-5)8(13)4-14/h1-3,8-9,14H,4,13H2/t8-/m0/s1
InChIKeyGDYOTHPLDFYOGH-QMMMGPOBSA-N
MW205.18 g/mol
LogP1.76
Rot. Bonds3

About (2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol

(2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol (PubChem CID 66514186) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is (2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol
PubChem CID66514186
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name(2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol
SMILESN[C@@H](CO)c1cc(F)ccc1C(F)F
InChIInChI=1S/C9H10F3NO/c10-5-1-2-6(9(11)12)7(3-5)8(13)4-14/h1-3,8-9,14H,4,13H2/t8-/m0/s1
InChIKeyGDYOTHPLDFYOGH-QMMMGPOBSA-N
XLogP1.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine
CID 130631832
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
2-amino-2-(2-bromo-5-fluorophenyl)ethanol
CID 77130177
(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
CID 171201244
4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976
(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171224919
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine
CID 66511138
(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
CID 66514177
2-amino-2-(5-fluoro-2-nitrophenyl)ethanol
CID 77129849
(2R)-2-amino-2-[5-(difluoromethyl)-2-fluorophenyl]ethanol
CID 66514200
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
3-(1-amino-2-hydroxyethyl)-4-fluorophenol
CID 55296620

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol?
The IUPAC name of (2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol (CID 66514186) is (2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol is N[C@@H](CO)c1cc(F)ccc1C(F)F.
What is the InChIKey of (2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol?
The InChIKey is GDYOTHPLDFYOGH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-5-1-2-6(9(11)12)7(3-5)8(13)4-14/h1-3,8-9,14H,4,13H2/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol?
(2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol has a molecular weight of 205.18 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol is sourced from PubChem (CID 66514186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).