[4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride

C14H11ClF5NO — CID 47002423

IUPAC[4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F
InChIInChI=1S/C14H10F5NO.ClH/c15-12-4-3-10(6-13(12)16)21-9-2-1-8(7-20)11(5-9)14(17,18)19;/h1-6H,7,20H2;1H
InChIKeyAELMIEIGACJDMX-UHFFFAOYSA-N
MW339.69 g/mol
LogP4.66
Rot. Bonds3

About [4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride

[4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 47002423) has the molecular formula C14H11ClF5NO and a molecular weight of 339.69 g/mol. Its IUPAC name is [4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID47002423
Molecular FormulaC14H11ClF5NO
Molecular Weight339.69 g/mol
Exact Mass339.04
IUPAC Name[4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F
InChIInChI=1S/C14H10F5NO.ClH/c15-12-4-3-10(6-13(12)16)21-9-2-1-8(7-20)11(5-9)14(17,18)19;/h1-6H,7,20H2;1H
InChIKeyAELMIEIGACJDMX-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.69
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 47002423) is [4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F.
What is the InChIKey of [4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is AELMIEIGACJDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO.ClH/c15-12-4-3-10(6-13(12)16)21-9-2-1-8(7-20)11(5-9)14(17,18)19;/h1-6H,7,20H2;1H.
What are the key properties of [4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
[4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 339.69 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 47002423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).