[5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine

C9H9ClF3N — CID 19065069

IUPAC[5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1CC(F)(F)F
InChIInChI=1S/C9H9ClF3N/c10-8-2-1-6(4-9(11,12)13)7(3-8)5-14/h1-3H,4-5,14H2
InChIKeySQMNSQTXGGJNEA-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.90
Rot. Bonds2

About [5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine

[5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine (PubChem CID 19065069) has the molecular formula C9H9ClF3N and a molecular weight of 223.62 g/mol. Its IUPAC name is [5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine
PubChem CID19065069
Molecular FormulaC9H9ClF3N
Molecular Weight223.62 g/mol
Exact Mass223.04
IUPAC Name[5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1CC(F)(F)F
InChIInChI=1S/C9H9ClF3N/c10-8-2-1-6(4-9(11,12)13)7(3-8)5-14/h1-3H,4-5,14H2
InChIKeySQMNSQTXGGJNEA-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine (CID 19065069) is [5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine is NCc1cc(Cl)ccc1CC(F)(F)F.
What is the InChIKey of [5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine?
The InChIKey is SQMNSQTXGGJNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N/c10-8-2-1-6(4-9(11,12)13)7(3-8)5-14/h1-3H,4-5,14H2.
What are the key properties of [5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine?
[5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine has a molecular weight of 223.62 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine is sourced from PubChem (CID 19065069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).