3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride

C8H9ClF3NO — CID 171238998

IUPAC3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
SMILESCl.N[C@H](c1cccc(O)c1)C(F)(F)F
InChIInChI=1S/C8H8F3NO.ClH/c9-8(10,11)7(12)5-2-1-3-6(13)4-5;/h1-4,7,13H,12H2;1H/t7-;/m1./s1
InChIKeyDWIZMZPZAPUNKE-OGFXRTJISA-N
MW227.61 g/mol
LogP2.38
Rot. Bonds1

About 3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride

3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride (PubChem CID 171238998) has the molecular formula C8H9ClF3NO and a molecular weight of 227.61 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
PubChem CID171238998
Molecular FormulaC8H9ClF3NO
Molecular Weight227.61 g/mol
Exact Mass227.03
IUPAC Name3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
SMILESCl.N[C@H](c1cccc(O)c1)C(F)(F)F
InChIInChI=1S/C8H8F3NO.ClH/c9-8(10,11)7(12)5-2-1-3-6(13)4-5;/h1-4,7,13H,12H2;1H/t7-;/m1./s1
InChIKeyDWIZMZPZAPUNKE-OGFXRTJISA-N
XLogP2.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.61
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 171245723
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CID 171238999
3-(1-amino-2,2,2-trifluoroethyl)aniline
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3-[(1S)-1-amino-2,2-difluoroethyl]phenol
CID 130987764
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3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 84676780
3-(1-amino-2-fluoroethyl)phenol
CID 83815443
(1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171239754
(1S)-2,2,2-trifluoro-1-(3-methylsulfonylphenyl)ethanamine;hydrochloride
CID 162344458
3,3,3-trifluoro-2-(3-hydroxyphenyl)propanal
CID 84777697
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CID 66510191

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride?
The IUPAC name of 3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride (CID 171238998) is 3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride?
The canonical SMILES for 3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride is Cl.N[C@H](c1cccc(O)c1)C(F)(F)F.
What is the InChIKey of 3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride?
The InChIKey is DWIZMZPZAPUNKE-OGFXRTJISA-N. The full InChI is InChI=1S/C8H8F3NO.ClH/c9-8(10,11)7(12)5-2-1-3-6(13)4-5;/h1-4,7,13H,12H2;1H/t7-;/m1./s1.
What are the key properties of 3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride?
3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride has a molecular weight of 227.61 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride is sourced from PubChem (CID 171238998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).