(R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride

C15H11ClF7NO — CID 171249000

IUPAC(R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(OC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H10F7NO.ClH/c16-12-10(2-1-3-11(12)14(17,18)19)13(23)8-4-6-9(7-5-8)24-15(20,21)22;/h1-7,13H,23H2;1H/t13-;/m1./s1
InChIKeyKSJHFRJBNKTKKK-BTQNPOSSSA-N
MW389.70 g/mol
LogP5.21
Rot. Bonds3

About (R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride

(R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride (PubChem CID 171249000) has the molecular formula C15H11ClF7NO and a molecular weight of 389.70 g/mol. Its IUPAC name is (R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
PubChem CID171249000
Molecular FormulaC15H11ClF7NO
Molecular Weight389.70 g/mol
Exact Mass389.04
IUPAC Name(R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(OC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H10F7NO.ClH/c16-12-10(2-1-3-11(12)14(17,18)19)13(23)8-4-6-9(7-5-8)24-15(20,21)22;/h1-7,13H,23H2;1H/t13-;/m1./s1
InChIKeyKSJHFRJBNKTKKK-BTQNPOSSSA-N
XLogP5.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.70
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-[2-chloro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242801
(R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248230
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-fluorophenol;hydrochloride
CID 171239132
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171255541
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-fluorophenol
CID 171239131
(S)-(3-fluoro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240227
(S)-(2,3-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240516
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
(S)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171242731
6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-bromo-2,3-difluorophenol;hydrochloride
CID 171257942
6-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253436

Frequently Asked Questions

What is the IUPAC name of (R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of (R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride (CID 171249000) is (R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for (R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride is Cl.N[C@H](c1ccc(OC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of (R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is KSJHFRJBNKTKKK-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H10F7NO.ClH/c16-12-10(2-1-3-11(12)14(17,18)19)13(23)8-4-6-9(7-5-8)24-15(20,21)22;/h1-7,13H,23H2;1H/t13-;/m1./s1.
What are the key properties of (R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
(R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 389.70 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171249000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).