[5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride

C14H11Cl2F4NO — CID 172654217

IUPAC[5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cc(-c2cc(F)ccc2Cl)ccc1OC(F)(F)F
InChIInChI=1S/C14H10ClF4NO.ClH/c15-12-3-2-10(16)6-11(12)8-1-4-13(9(5-8)7-20)21-14(17,18)19;/h1-6H,7,20H2;1H
InChIKeyWPIUBIBXGNFGDM-UHFFFAOYSA-N
MW356.15 g/mol
LogP4.93
Rot. Bonds3

About [5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride

[5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride (PubChem CID 172654217) has the molecular formula C14H11Cl2F4NO and a molecular weight of 356.15 g/mol. Its IUPAC name is [5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride
PubChem CID172654217
Molecular FormulaC14H11Cl2F4NO
Molecular Weight356.15 g/mol
Exact Mass355.02
IUPAC Name[5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cc(-c2cc(F)ccc2Cl)ccc1OC(F)(F)F
InChIInChI=1S/C14H10ClF4NO.ClH/c15-12-3-2-10(16)6-11(12)8-1-4-13(9(5-8)7-20)21-14(17,18)19;/h1-6H,7,20H2;1H
InChIKeyWPIUBIBXGNFGDM-UHFFFAOYSA-N
XLogP4.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
CID 172649980
[5-(3-fluoro-2-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
CID 172649966
[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172649997
[3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol
CID 172653860
[2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine
CID 114078458
2-chloro-4-fluoro-1-[3-methyl-4-(trifluoromethoxy)phenyl]benzene
CID 58902883
1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine
CID 105395772
[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804267
[3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride
CID 172653896
[2-(2-chloro-5-fluorophenyl)phenyl]methanamine
CID 105395671
[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 172653750
[5-(2-chloro-5-fluorophenyl)-2-methylphenyl]methanol
CID 172654205

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of [5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride (CID 172654217) is [5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for [5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride is Cl.NCc1cc(-c2cc(F)ccc2Cl)ccc1OC(F)(F)F.
What is the InChIKey of [5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is WPIUBIBXGNFGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NO.ClH/c15-12-3-2-10(16)6-11(12)8-1-4-13(9(5-8)7-20)21-14(17,18)19;/h1-6H,7,20H2;1H.
What are the key properties of [5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
[5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 356.15 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 172654217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).