(4-chloro-2-fluorophenyl)methanamine;hydrochloride

C7H8Cl2FN — CID 2724909

IUPAC(4-chloro-2-fluorophenyl)methanamine;hydrochloride
SMILESCl.NCc1ccc(Cl)cc1F
InChIInChI=1S/C7H7ClFN.ClH/c8-6-2-1-5(4-10)7(9)3-6;/h1-3H,4,10H2;1H
InChIKeyDFRJZBWKVAXYRV-UHFFFAOYSA-N
MW196.05 g/mol
LogP2.36
Rot. Bonds1

About (4-chloro-2-fluorophenyl)methanamine;hydrochloride

(4-chloro-2-fluorophenyl)methanamine;hydrochloride (PubChem CID 2724909) has the molecular formula C7H8Cl2FN and a molecular weight of 196.05 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)methanamine;hydrochloride
PubChem CID2724909
Molecular FormulaC7H8Cl2FN
Molecular Weight196.05 g/mol
Exact Mass195.00
IUPAC Name(4-chloro-2-fluorophenyl)methanamine;hydrochloride
SMILESCl.NCc1ccc(Cl)cc1F
InChIInChI=1S/C7H7ClFN.ClH/c8-6-2-1-5(4-10)7(9)3-6;/h1-3H,4,10H2;1H
InChIKeyDFRJZBWKVAXYRV-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.05
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)methanamine;hydrochloride?
The IUPAC name of (4-chloro-2-fluorophenyl)methanamine;hydrochloride (CID 2724909) is (4-chloro-2-fluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-chloro-2-fluorophenyl)methanamine;hydrochloride?
The canonical SMILES for (4-chloro-2-fluorophenyl)methanamine;hydrochloride is Cl.NCc1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)methanamine;hydrochloride?
The InChIKey is DFRJZBWKVAXYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN.ClH/c8-6-2-1-5(4-10)7(9)3-6;/h1-3H,4,10H2;1H.
What are the key properties of (4-chloro-2-fluorophenyl)methanamine;hydrochloride?
(4-chloro-2-fluorophenyl)methanamine;hydrochloride has a molecular weight of 196.05 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 2724909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).