2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol

C9H10F3NO — CID 84672964

IUPAC2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol
SMILESNC(CO)c1cccc(F)c1C(F)F
InChIInChI=1S/C9H10F3NO/c10-6-3-1-2-5(7(13)4-14)8(6)9(11)12/h1-3,7,9,14H,4,13H2
InChIKeyNLLHAVIEIROVQS-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol

2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol (PubChem CID 84672964) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol
PubChem CID84672964
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol
SMILESNC(CO)c1cccc(F)c1C(F)F
InChIInChI=1S/C9H10F3NO/c10-6-3-1-2-5(7(13)4-14)8(6)9(11)12/h1-3,7,9,14H,4,13H2
InChIKeyNLLHAVIEIROVQS-UHFFFAOYSA-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

(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
2-amino-2-(2-amino-3-fluorophenyl)ethanol
CID 55283031
2-amino-2-(3-fluoro-2-iodophenyl)ethanol
CID 130043805
(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
CID 171224063
(2R)-2-amino-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 121235718
(2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol
CID 130642368
2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
CID 77129940
(2R)-2-amino-2-(2-ethyl-6-fluorophenyl)ethanol
CID 130648488
(2R)-2-amino-2-[5-(difluoromethyl)-2-fluorophenyl]ethanol
CID 66514200
2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol
CID 117289376
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
CID 66514745
2-amino-2-[2-(1-fluoroethyl)phenyl]ethanol
CID 84659121

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol?
The IUPAC name of 2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol (CID 84672964) is 2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol.
What is the SMILES notation for 2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol?
The canonical SMILES for 2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol is NC(CO)c1cccc(F)c1C(F)F.
What is the InChIKey of 2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol?
The InChIKey is NLLHAVIEIROVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-6-3-1-2-5(7(13)4-14)8(6)9(11)12/h1-3,7,9,14H,4,13H2.
What are the key properties of 2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol?
2-amino-2-[2-(difluoromethyl)-3-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 2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 84672964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).