[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine

C8H6ClF4N — CID 171016039

IUPAC[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine
SMILESNCc1c(Cl)cc(F)cc1C(F)(F)F
InChIInChI=1S/C8H6ClF4N/c9-7-2-4(10)1-6(5(7)3-14)8(11,12)13/h1-2H,3,14H2
InChIKeyDXZFLUYIIVSMPT-UHFFFAOYSA-N
MW227.59 g/mol
LogP2.96
Rot. Bonds1

About [2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine

[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine (PubChem CID 171016039) has the molecular formula C8H6ClF4N and a molecular weight of 227.59 g/mol. Its IUPAC name is [2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine
PubChem CID171016039
Molecular FormulaC8H6ClF4N
Molecular Weight227.59 g/mol
Exact Mass227.01
IUPAC Name[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine
SMILESNCc1c(Cl)cc(F)cc1C(F)(F)F
InChIInChI=1S/C8H6ClF4N/c9-7-2-4(10)1-6(5(7)3-14)8(11,12)13/h1-2H,3,14H2
InChIKeyDXZFLUYIIVSMPT-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.59
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine (CID 171016039) is [2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine is NCc1c(Cl)cc(F)cc1C(F)(F)F.
What is the InChIKey of [2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DXZFLUYIIVSMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF4N/c9-7-2-4(10)1-6(5(7)3-14)8(11,12)13/h1-2H,3,14H2.
What are the key properties of [2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine?
[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine has a molecular weight of 227.59 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171016039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).