(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine

C15H12F5NO2 — CID 171241669

IUPAC(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@@H](c1ccc(OC(F)(F)F)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12F5NO2/c16-14(17)22-12-3-1-2-10(8-12)13(21)9-4-6-11(7-5-9)23-15(18,19)20/h1-8,13-14H,21H2/t13-/m0/s1
InChIKeyUDJWRSOSJQQPQG-ZDUSSCGKSA-N
MW333.26 g/mol
LogP4.23
Rot. Bonds5

About (S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine

(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171241669) has the molecular formula C15H12F5NO2 and a molecular weight of 333.26 g/mol. Its IUPAC name is (S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171241669
Molecular FormulaC15H12F5NO2
Molecular Weight333.26 g/mol
Exact Mass333.08
IUPAC Name(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@@H](c1ccc(OC(F)(F)F)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12F5NO2/c16-14(17)22-12-3-1-2-10(8-12)13(21)9-4-6-11(7-5-9)23-15(18,19)20/h1-8,13-14H,21H2/t13-/m0/s1
InChIKeyUDJWRSOSJQQPQG-ZDUSSCGKSA-N
XLogP4.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242513
3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171245719
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 82790039
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
methyl 3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzoate
CID 171250951
(R)-(3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171245523
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,2-diol
CID 171245554
thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
CID 55132689
(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine
CID 115801705
[3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine
CID 43379666

Frequently Asked Questions

What is the IUPAC name of (S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine (CID 171241669) is (S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine is N[C@@H](c1ccc(OC(F)(F)F)cc1)c1cccc(OC(F)F)c1.
What is the InChIKey of (S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is UDJWRSOSJQQPQG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H12F5NO2/c16-14(17)22-12-3-1-2-10(8-12)13(21)9-4-6-11(7-5-9)23-15(18,19)20/h1-8,13-14H,21H2/t13-/m0/s1.
What are the key properties of (S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine?
(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 333.26 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171241669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).