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

C15H10F7NO — CID 171248862

IUPAC(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C15H10F7NO/c16-12-7-9(14(17,18)19)3-6-11(12)13(23)8-1-4-10(5-2-8)24-15(20,21)22/h1-7,13H,23H2/t13-/m1/s1
InChIKeyZYKNWZZYXBYAFA-CYBMUJFWSA-N
MW353.24 g/mol
LogP4.79
Rot. Bonds3

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

(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171248862) has the molecular formula C15H10F7NO and a molecular weight of 353.24 g/mol. Its IUPAC name is (R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171248862
Molecular FormulaC15H10F7NO
Molecular Weight353.24 g/mol
Exact Mass353.07
IUPAC Name(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C15H10F7NO/c16-12-7-9(14(17,18)19)3-6-11(12)13(23)8-1-4-10(5-2-8)24-15(20,21)22/h1-7,13H,23H2/t13-/m1/s1
InChIKeyZYKNWZZYXBYAFA-CYBMUJFWSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol
CID 171245952
(S)-[2-bromo-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242075
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol
CID 171258095
(S)-[2-chloro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171242871
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43561305
(S)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171242731
6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol
CID 171256466
(S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241069
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171250333
(R)-(2,3,5,6-tetrafluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171249914

Frequently Asked Questions

What is the IUPAC name of (R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine (CID 171248862) is (R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine is N[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of (R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is ZYKNWZZYXBYAFA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H10F7NO/c16-12-7-9(14(17,18)19)3-6-11(12)13(23)8-1-4-10(5-2-8)24-15(20,21)22/h1-7,13H,23H2/t13-/m1/s1.
What are the key properties of (R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine?
(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 353.24 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171248862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).