(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride

C9H11ClF3NO2 — CID 86712019

IUPAC(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO2.ClH/c10-9(11,12)15-7-3-1-6(2-4-7)8(13)5-14;/h1-4,8,14H,5,13H2;1H/t8-;/m1./s1
InChIKeyIGMWZYNHDCHAKD-DDWIOCJRSA-N
MW257.64 g/mol
LogP2.00
Rot. Bonds3

About (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride

(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride (PubChem CID 86712019) has the molecular formula C9H11ClF3NO2 and a molecular weight of 257.64 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
PubChem CID86712019
Molecular FormulaC9H11ClF3NO2
Molecular Weight257.64 g/mol
Exact Mass257.04
IUPAC Name(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO2.ClH/c10-9(11,12)15-7-3-1-6(2-4-7)8(13)5-14;/h1-4,8,14H,5,13H2;1H/t8-;/m1./s1
InChIKeyIGMWZYNHDCHAKD-DDWIOCJRSA-N
XLogP2.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515285
(2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515284
(1S)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171227274
(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171313749
(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171227277
(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103693878
4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 104992805
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 171207695
(1S)-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine;hydrochloride
CID 171227266
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880
methyl 3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 42957249
(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
CID 171207711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride (CID 86712019) is (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride is Cl.N[C@H](CO)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The InChIKey is IGMWZYNHDCHAKD-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H10F3NO2.ClH/c10-9(11,12)15-7-3-1-6(2-4-7)8(13)5-14;/h1-4,8,14H,5,13H2;1H/t8-;/m1./s1.
What are the key properties of (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride has a molecular weight of 257.64 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 86712019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).