[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine

C14H11ClF3N — CID 134790471

IUPAC[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1ccccc1-c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H11ClF3N/c15-13-6-5-10(14(16,17)18)7-12(13)11-4-2-1-3-9(11)8-19/h1-7H,8,19H2
InChIKeyZKCFJJLPYNZGCJ-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.48
Rot. Bonds2

About [2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine

[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine (PubChem CID 134790471) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is [2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine
PubChem CID134790471
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1ccccc1-c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H11ClF3N/c15-13-6-5-10(14(16,17)18)7-12(13)11-4-2-1-3-9(11)8-19/h1-7H,8,19H2
InChIKeyZKCFJJLPYNZGCJ-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine?
The IUPAC name of [2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine (CID 134790471) is [2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine is NCc1ccccc1-c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of [2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine?
The InChIKey is ZKCFJJLPYNZGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-13-6-5-10(14(16,17)18)7-12(13)11-4-2-1-3-9(11)8-19/h1-7H,8,19H2.
What are the key properties of [2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine?
[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine has a molecular weight of 285.70 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 134790471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).