(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride

C14H12ClF4NO — CID 171245927

IUPAC(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H11F4NO.ClH/c15-11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)20-14(16,17)18;/h1-8,13H,19H2;1H/t13-;/m0./s1
InChIKeyMCDMTLIFIRQNCS-ZOWNYOTGSA-N
MW321.70 g/mol
LogP4.19
Rot. Bonds3

About (R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride

(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride (PubChem CID 171245927) has the molecular formula C14H12ClF4NO and a molecular weight of 321.70 g/mol. Its IUPAC name is (R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
PubChem CID171245927
Molecular FormulaC14H12ClF4NO
Molecular Weight321.70 g/mol
Exact Mass321.05
IUPAC Name(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H11F4NO.ClH/c15-11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)20-14(16,17)18;/h1-8,13H,19H2;1H/t13-;/m0./s1
InChIKeyMCDMTLIFIRQNCS-ZOWNYOTGSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.70
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
(3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 105016494
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
5-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,3-diol;hydrochloride
CID 171239519
(5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 115804926
(S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241069
(S)-(2-bromo-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240548
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
bis(4-fluorophenyl)methanamine
CID 10955039
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348

Frequently Asked Questions

What is the IUPAC name of (R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of (R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride (CID 171245927) is (R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for (R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride is Cl.N[C@@H](c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is MCDMTLIFIRQNCS-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H11F4NO.ClH/c15-11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)20-14(16,17)18;/h1-8,13H,19H2;1H/t13-;/m0./s1.
What are the key properties of (R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 321.70 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171245927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).