[2-chloro-3-(trifluoromethyl)phenyl]methanamine

C8H7ClF3N — CID 5224207

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H7ClF3N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H,4,13H2
InChIKeyGRFVQNWTQVWNBY-UHFFFAOYSA-N
MW209.60 g/mol
LogP2.82
Rot. Bonds1

About [2-chloro-3-(trifluoromethyl)phenyl]methanamine

[2-chloro-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 5224207) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]methanamine
PubChem CID5224207
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H7ClF3N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H,4,13H2
InChIKeyGRFVQNWTQVWNBY-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.60
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]methanamine (CID 5224207) is [2-chloro-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]methanamine is NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is GRFVQNWTQVWNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H,4,13H2.
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]methanamine?
[2-chloro-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 209.60 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 5224207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).