(2-chloro-3,6-difluorophenyl)methanamine

C7H6ClF2N — CID 2773545

IUPAC(2-chloro-3,6-difluorophenyl)methanamine
SMILESNCc1c(F)ccc(F)c1Cl
InChIInChI=1S/C7H6ClF2N/c8-7-4(3-11)5(9)1-2-6(7)10/h1-2H,3,11H2
InChIKeyKDAQEMQCJMFSEP-UHFFFAOYSA-N
MW177.58 g/mol
LogP2.08
Rot. Bonds1

About (2-chloro-3,6-difluorophenyl)methanamine

(2-chloro-3,6-difluorophenyl)methanamine (PubChem CID 2773545) has the molecular formula C7H6ClF2N and a molecular weight of 177.58 g/mol. Its IUPAC name is (2-chloro-3,6-difluorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-3,6-difluorophenyl)methanamine
PubChem CID2773545
Molecular FormulaC7H6ClF2N
Molecular Weight177.58 g/mol
Exact Mass177.02
IUPAC Name(2-chloro-3,6-difluorophenyl)methanamine
SMILESNCc1c(F)ccc(F)c1Cl
InChIInChI=1S/C7H6ClF2N/c8-7-4(3-11)5(9)1-2-6(7)10/h1-2H,3,11H2
InChIKeyKDAQEMQCJMFSEP-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.58
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3,6-difluorophenyl)methanamine?
The IUPAC name of (2-chloro-3,6-difluorophenyl)methanamine (CID 2773545) is (2-chloro-3,6-difluorophenyl)methanamine.
What is the SMILES notation for (2-chloro-3,6-difluorophenyl)methanamine?
The canonical SMILES for (2-chloro-3,6-difluorophenyl)methanamine is NCc1c(F)ccc(F)c1Cl.
What is the InChIKey of (2-chloro-3,6-difluorophenyl)methanamine?
The InChIKey is KDAQEMQCJMFSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N/c8-7-4(3-11)5(9)1-2-6(7)10/h1-2H,3,11H2.
What are the key properties of (2-chloro-3,6-difluorophenyl)methanamine?
(2-chloro-3,6-difluorophenyl)methanamine has a molecular weight of 177.58 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3,6-difluorophenyl)methanamine is sourced from PubChem (CID 2773545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).