(R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine

C14H9F6NO — CID 129411595

IUPAC(R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@H](c1ccc(OC(F)(F)F)c(F)c1)c1c(F)cccc1F
InChIInChI=1S/C14H9F6NO/c15-8-2-1-3-9(16)12(8)13(21)7-4-5-11(10(17)6-7)22-14(18,19)20/h1-6,13H,21H2/t13-/m1/s1
InChIKeyRGCCCTMINKPVNL-CYBMUJFWSA-N
MW321.22 g/mol
LogP4.05
Rot. Bonds3

About (R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine

(R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 129411595) has the molecular formula C14H9F6NO and a molecular weight of 321.22 g/mol. Its IUPAC name is (R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
PubChem CID129411595
Molecular FormulaC14H9F6NO
Molecular Weight321.22 g/mol
Exact Mass321.06
IUPAC Name(R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@H](c1ccc(OC(F)(F)F)c(F)c1)c1c(F)cccc1F
InChIInChI=1S/C14H9F6NO/c15-8-2-1-3-9(16)12(8)13(21)7-4-5-11(10(17)6-7)22-14(18,19)20/h1-6,13H,21H2/t13-/m1/s1
InChIKeyRGCCCTMINKPVNL-CYBMUJFWSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
(1S)-2,2-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249160
(1S)-2,2,3,3,3-pentafluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171311762
(2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol
CID 171263558
(1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol;hydrochloride
CID 121361674
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine
CID 43130972
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171227886
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylbutan-1-amine
CID 171227924
(S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
CID 171227912
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]pentan-1-amine
CID 171227894
(1R,2S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,3-dimethylbutan-2-ol;hydrochloride
CID 171263557
(1S,2R)-2-amino-1-cyclopropyl-2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanol
CID 171263546

Frequently Asked Questions

What is the IUPAC name of (R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine (CID 129411595) is (R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine is N[C@H](c1ccc(OC(F)(F)F)c(F)c1)c1c(F)cccc1F.
What is the InChIKey of (R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is RGCCCTMINKPVNL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H9F6NO/c15-8-2-1-3-9(16)12(8)13(21)7-4-5-11(10(17)6-7)22-14(18,19)20/h1-6,13H,21H2/t13-/m1/s1.
What are the key properties of (R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine?
(R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 321.22 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 129411595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).