2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride

C8H7Cl2F4NO — CID 171253460

IUPAC2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride
SMILESCl.N[C@H](c1c(Cl)ccc(F)c1O)C(F)(F)F
InChIInChI=1S/C8H6ClF4NO.ClH/c9-3-1-2-4(10)6(15)5(3)7(14)8(11,12)13;/h1-2,7,15H,14H2;1H/t7-;/m1./s1
InChIKeyJAXQYJIXRLBABV-OGFXRTJISA-N
MW280.05 g/mol
LogP3.17
Rot. Bonds1

About 2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride

2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride (PubChem CID 171253460) has the molecular formula C8H7Cl2F4NO and a molecular weight of 280.05 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride
PubChem CID171253460
Molecular FormulaC8H7Cl2F4NO
Molecular Weight280.05 g/mol
Exact Mass278.98
IUPAC Name2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride
SMILESCl.N[C@H](c1c(Cl)ccc(F)c1O)C(F)(F)F
InChIInChI=1S/C8H6ClF4NO.ClH/c9-3-1-2-4(10)6(15)5(3)7(14)8(11,12)13;/h1-2,7,15H,14H2;1H/t7-;/m1./s1
InChIKeyJAXQYJIXRLBABV-OGFXRTJISA-N
XLogP3.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.05
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171255856
(1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride
CID 171243893
(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171249436
3-chloro-2-[(1R)-1,2-diaminoethyl]-6-fluorophenol
CID 131010003
methyl (2S)-2-amino-2-(6-chloro-3-fluoro-2-hydroxyphenyl)acetate
CID 131423206
2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171255857
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-6-fluorophenol;hydrochloride
CID 171245844
2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314963
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-chloro-4-fluorophenol
CID 66511183
(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171247942
(1S)-1-(4-chloro-3-fluorophenyl)-2,2,2-trifluoroethanamine
CID 56971915
2-[(1S)-1-amino-2,2,2-trifluoroethyl]benzene-1,3-diol
CID 66510899

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride (CID 171253460) is 2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride is Cl.N[C@H](c1c(Cl)ccc(F)c1O)C(F)(F)F.
What is the InChIKey of 2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride?
The InChIKey is JAXQYJIXRLBABV-OGFXRTJISA-N. The full InChI is InChI=1S/C8H6ClF4NO.ClH/c9-3-1-2-4(10)6(15)5(3)7(14)8(11,12)13;/h1-2,7,15H,14H2;1H/t7-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride?
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride has a molecular weight of 280.05 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-6-fluorophenol;hydrochloride is sourced from PubChem (CID 171253460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).