(S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine

C14H10ClF4NO — CID 171241069

IUPAC(S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@@H](c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H10ClF4NO/c15-12-7-9(16)3-6-11(12)13(20)8-1-4-10(5-2-8)21-14(17,18)19/h1-7,13H,20H2/t13-/m0/s1
InChIKeyIAZNHKSLNBDAGV-ZDUSSCGKSA-N
MW319.69 g/mol
LogP4.43
Rot. Bonds3

About (S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine

(S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171241069) has the molecular formula C14H10ClF4NO and a molecular weight of 319.69 g/mol. Its IUPAC name is (S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171241069
Molecular FormulaC14H10ClF4NO
Molecular Weight319.69 g/mol
Exact Mass319.04
IUPAC Name(S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@@H](c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H10ClF4NO/c15-12-7-9(16)3-6-11(12)13(20)8-1-4-10(5-2-8)21-14(17,18)19/h1-7,13H,20H2/t13-/m0/s1
InChIKeyIAZNHKSLNBDAGV-ZDUSSCGKSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.69
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-chloro-4-fluorophenol;hydrochloride
CID 171255988
(S)-(2-bromo-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240548
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(S)-[2-chloro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171242871
(R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171250333
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
(S)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171242731
(2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 105393834
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol
CID 171245952
(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248862
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-chloro-6-fluorophenol
CID 171255948

Frequently Asked Questions

What is the IUPAC name of (S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 171241069) is (S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine is N[C@@H](c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1Cl.
What is the InChIKey of (S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is IAZNHKSLNBDAGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H10ClF4NO/c15-12-7-9(16)3-6-11(12)13(20)8-1-4-10(5-2-8)21-14(17,18)19/h1-7,13H,20H2/t13-/m0/s1.
What are the key properties of (S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 319.69 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171241069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).