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

C14H9ClF5NO — CID 171249515

IUPAC(R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1c(F)ccc(F)c1Cl
InChIInChI=1S/C14H9ClF5NO/c15-12-10(17)6-5-9(16)11(12)13(21)7-1-3-8(4-2-7)22-14(18,19)20/h1-6,13H,21H2/t13-/m1/s1
InChIKeyGJOJEGXXECFTHI-CYBMUJFWSA-N
MW337.68 g/mol
LogP4.56
Rot. Bonds3

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

(R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171249515) has the molecular formula C14H9ClF5NO and a molecular weight of 337.68 g/mol. Its IUPAC name is (R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171249515
Molecular FormulaC14H9ClF5NO
Molecular Weight337.68 g/mol
Exact Mass337.03
IUPAC Name(R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1c(F)ccc(F)c1Cl
InChIInChI=1S/C14H9ClF5NO/c15-12-10(17)6-5-9(16)11(12)13(21)7-1-3-8(4-2-7)22-14(18,19)20/h1-6,13H,21H2/t13-/m1/s1
InChIKeyGJOJEGXXECFTHI-CYBMUJFWSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.68
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(R)-(2,3,5,6-tetrafluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171249914
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol
CID 171257315
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,5-dichlorophenol
CID 171244876
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-chloro-6-fluorophenol
CID 171255948
(R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171250333
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol
CID 171256466
(S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241069
(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171251371
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-bromo-3-chlorophenol;hydrochloride
CID 171253007

Frequently Asked Questions

What is the IUPAC name of (R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 171249515) is (R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine is N[C@H](c1ccc(OC(F)(F)F)cc1)c1c(F)ccc(F)c1Cl.
What is the InChIKey of (R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is GJOJEGXXECFTHI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H9ClF5NO/c15-12-10(17)6-5-9(16)11(12)13(21)7-1-3-8(4-2-7)22-14(18,19)20/h1-6,13H,21H2/t13-/m1/s1.
What are the key properties of (R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 337.68 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-chloro-3,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171249515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).