[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine

C14H11ClF3NO — CID 58104277

IUPAC[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
SMILESNCc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H11ClF3NO/c15-12-7-10(14(16,17)18)3-6-13(12)20-11-4-1-9(8-19)2-5-11/h1-7H,8,19H2
InChIKeySHOBNBRIBORKBC-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.61
Rot. Bonds3

About [4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine

[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine (PubChem CID 58104277) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is [4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
PubChem CID58104277
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
SMILESNCc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H11ClF3NO/c15-12-7-10(14(16,17)18)3-6-13(12)20-11-4-1-9(8-19)2-5-11/h1-7H,8,19H2
InChIKeySHOBNBRIBORKBC-UHFFFAOYSA-N
XLogP4.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine?
The IUPAC name of [4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine (CID 58104277) is [4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine is NCc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of [4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine?
The InChIKey is SHOBNBRIBORKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-12-7-10(14(16,17)18)3-6-13(12)20-11-4-1-9(8-19)2-5-11/h1-7H,8,19H2.
What are the key properties of [4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine?
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine has a molecular weight of 301.70 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine is sourced from PubChem (CID 58104277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).