2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride

C9H10Cl2F3NO — CID 91646208

IUPAC2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCl.NC(CO)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H9ClF3NO.ClH/c10-5-1-2-6(8(14)4-15)7(3-5)9(11,12)13;/h1-3,8,15H,4,14H2;1H
InChIKeyPYCBHPCZILUBPN-UHFFFAOYSA-N
MW276.09 g/mol
LogP2.77
Rot. Bonds2

About 2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride

2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride (PubChem CID 91646208) has the molecular formula C9H10Cl2F3NO and a molecular weight of 276.09 g/mol. Its IUPAC name is 2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
PubChem CID91646208
Molecular FormulaC9H10Cl2F3NO
Molecular Weight276.09 g/mol
Exact Mass275.01
IUPAC Name2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCl.NC(CO)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H9ClF3NO.ClH/c10-5-1-2-6(8(14)4-15)7(3-5)9(11,12)13;/h1-3,8,15H,4,14H2;1H
InChIKeyPYCBHPCZILUBPN-UHFFFAOYSA-N
XLogP2.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]butane-1,4-diamine;hydrochloride
CID 171227093
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207522
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242193
(2R)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol
CID 66515548
(2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol
CID 66515547
ethyl (3S)-3-amino-3-[4-chloro-2-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171227139
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine
CID 171227133
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 171242192
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131543112
(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171227759
2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol
CID 84791951
2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170892844

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The IUPAC name of 2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride (CID 91646208) is 2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The canonical SMILES for 2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride is Cl.NC(CO)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The InChIKey is PYCBHPCZILUBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO.ClH/c10-5-1-2-6(8(14)4-15)7(3-5)9(11,12)13;/h1-3,8,15H,4,14H2;1H.
What are the key properties of 2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride?
2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride has a molecular weight of 276.09 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 2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 91646208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).