(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride

C9H7ClF7N — CID 171242667

IUPAC(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(F)cc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F7N.ClH/c10-4-1-2-5(7(17)9(14,15)16)6(3-4)8(11,12)13;/h1-3,7H,17H2;1H/t7-;/m1./s1
InChIKeyVXZNBBAZVYQKSE-OGFXRTJISA-N
MW297.60 g/mol
LogP3.83
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride

(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride (PubChem CID 171242667) has the molecular formula C9H7ClF7N and a molecular weight of 297.60 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
PubChem CID171242667
Molecular FormulaC9H7ClF7N
Molecular Weight297.60 g/mol
Exact Mass297.02
IUPAC Name(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(F)cc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F7N.ClH/c10-4-1-2-5(7(17)9(14,15)16)6(3-4)8(11,12)13;/h1-3,7H,17H2;1H/t7-;/m1./s1
InChIKeyVXZNBBAZVYQKSE-OGFXRTJISA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.60
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242678
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242193
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512665
(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 131361853
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 171242192
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-fluorophenol
CID 66511072
(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine
CID 66512623
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine
CID 66511138
(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171247942
1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
CID 51358639

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride (CID 171242667) is (1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride is Cl.N[C@H](c1ccc(F)cc1C(F)(F)F)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The InChIKey is VXZNBBAZVYQKSE-OGFXRTJISA-N. The full InChI is InChI=1S/C9H6F7N.ClH/c10-4-1-2-5(7(17)9(14,15)16)6(3-4)8(11,12)13;/h1-3,7H,17H2;1H/t7-;/m1./s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride has a molecular weight of 297.60 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 171242667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).