(4-chloro-2,5-difluorophenyl)methanamine;hydrochloride

C7H7Cl2F2N — CID 86812399

IUPAC(4-chloro-2,5-difluorophenyl)methanamine;hydrochloride
SMILESCl.NCc1cc(F)c(Cl)cc1F
InChIInChI=1S/C7H6ClF2N.ClH/c8-5-2-6(9)4(3-11)1-7(5)10;/h1-2H,3,11H2;1H
InChIKeyADMLZGNJDGYPKG-UHFFFAOYSA-N
MW214.04 g/mol
LogP2.50
Rot. Bonds1

About (4-chloro-2,5-difluorophenyl)methanamine;hydrochloride

(4-chloro-2,5-difluorophenyl)methanamine;hydrochloride (PubChem CID 86812399) has the molecular formula C7H7Cl2F2N and a molecular weight of 214.04 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)methanamine;hydrochloride
PubChem CID86812399
Molecular FormulaC7H7Cl2F2N
Molecular Weight214.04 g/mol
Exact Mass212.99
IUPAC Name(4-chloro-2,5-difluorophenyl)methanamine;hydrochloride
SMILESCl.NCc1cc(F)c(Cl)cc1F
InChIInChI=1S/C7H6ClF2N.ClH/c8-5-2-6(9)4(3-11)1-7(5)10;/h1-2H,3,11H2;1H
InChIKeyADMLZGNJDGYPKG-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 52.50
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 (4-chloro-2,5-difluorophenyl)methanamine;hydrochloride?
The IUPAC name of (4-chloro-2,5-difluorophenyl)methanamine;hydrochloride (CID 86812399) is (4-chloro-2,5-difluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)methanamine;hydrochloride?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)methanamine;hydrochloride is Cl.NCc1cc(F)c(Cl)cc1F.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)methanamine;hydrochloride?
The InChIKey is ADMLZGNJDGYPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N.ClH/c8-5-2-6(9)4(3-11)1-7(5)10;/h1-2H,3,11H2;1H.
What are the key properties of (4-chloro-2,5-difluorophenyl)methanamine;hydrochloride?
(4-chloro-2,5-difluorophenyl)methanamine;hydrochloride has a molecular weight of 214.04 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 86812399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).