(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride

C10H9ClF7N — CID 171209536

IUPAC(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H8F7N.ClH/c11-7-2-1-5(10(15,16)17)3-6(7)8(18)4-9(12,13)14;/h1-3,8H,4,18H2;1H/t8-;/m1./s1
InChIKeyPYGTUMQFJRTJIU-DDWIOCJRSA-N
MW311.63 g/mol
LogP4.22
Rot. Bonds2

About (1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride

(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride (PubChem CID 171209536) has the molecular formula C10H9ClF7N and a molecular weight of 311.63 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
PubChem CID171209536
Molecular FormulaC10H9ClF7N
Molecular Weight311.63 g/mol
Exact Mass311.03
IUPAC Name(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H8F7N.ClH/c11-7-2-1-5(10(15,16)17)3-6(7)8(18)4-9(12,13)14;/h1-3,8H,4,18H2;1H/t8-;/m1./s1
InChIKeyPYGTUMQFJRTJIU-DDWIOCJRSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.63
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171202089
(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171204248
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]butane-1,4-diamine
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(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171229157
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171209520
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
1-[2-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79016459
(1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242848
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171249579
(1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 171209533
(3S)-3-amino-3-[2-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171242854

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The IUPAC name of (1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride (CID 171209536) is (1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride is Cl.N[C@H](CC(F)(F)F)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The InChIKey is PYGTUMQFJRTJIU-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H8F7N.ClH/c11-7-2-1-5(10(15,16)17)3-6(7)8(18)4-9(12,13)14;/h1-3,8H,4,18H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride has a molecular weight of 311.63 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 171209536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).