2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol

C9H9F4NO — CID 77129940

IUPAC2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
SMILESNC(CO)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C9H9F4NO/c10-6-3-1-2-5(9(11,12)13)8(6)7(14)4-15/h1-3,7,15H,4,14H2
InChIKeyYFEKUBJIKOECBB-UHFFFAOYSA-N
MW223.17 g/mol
LogP1.84
Rot. Bonds2

About 2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol

2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol (PubChem CID 77129940) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is 2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
PubChem CID77129940
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
SMILESNC(CO)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C9H9F4NO/c10-6-3-1-2-5(9(11,12)13)8(6)7(14)4-15/h1-3,7,15H,4,14H2
InChIKeyYFEKUBJIKOECBB-UHFFFAOYSA-N
XLogP1.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
CID 66515831
(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol
CID 171227356
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171227307
(1S)-4,4,4-trifluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]butan-1-amine
CID 171227329
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227313
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171227323
(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propanenitrile
CID 131439359
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]-3-methylbut-3-en-1-amine;hydrochloride
CID 171227347
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171227351
2-[(1S)-1-amino-2-hydroxyethyl]-6-fluoro-3-(trifluoromethyl)phenol;hydrochloride
CID 171259080
(1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 131585699
(2R)-2-amino-2-(2-ethyl-6-fluorophenyl)ethanol
CID 130648488

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol (CID 77129940) is 2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol is NC(CO)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of 2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol?
The InChIKey is YFEKUBJIKOECBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c10-6-3-1-2-5(9(11,12)13)8(6)7(14)4-15/h1-3,7,15H,4,14H2.
What are the key properties of 2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol?
2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol has a molecular weight of 223.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 77129940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).