3-chloro-4-fluoro-N-methylaniline;hydrochloride

C7H8Cl2FN — CID 71758224

IUPAC3-chloro-4-fluoro-N-methylaniline;hydrochloride
SMILESCNc1ccc(F)c(Cl)c1.Cl
InChIInChI=1S/C7H7ClFN.ClH/c1-10-5-2-3-7(9)6(8)4-5;/h2-4,10H,1H3;1H
InChIKeySTFFUJKEVFUSAP-UHFFFAOYSA-N
MW196.05 g/mol
LogP2.94
Rot. Bonds1

About 3-chloro-4-fluoro-N-methylaniline;hydrochloride

3-chloro-4-fluoro-N-methylaniline;hydrochloride (PubChem CID 71758224) has the molecular formula C7H8Cl2FN and a molecular weight of 196.05 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-methylaniline;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-methylaniline;hydrochloride
PubChem CID71758224
Molecular FormulaC7H8Cl2FN
Molecular Weight196.05 g/mol
Exact Mass195.00
IUPAC Name3-chloro-4-fluoro-N-methylaniline;hydrochloride
SMILESCNc1ccc(F)c(Cl)c1.Cl
InChIInChI=1S/C7H7ClFN.ClH/c1-10-5-2-3-7(9)6(8)4-5;/h2-4,10H,1H3;1H
InChIKeySTFFUJKEVFUSAP-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-methylaniline;hydrochloride?
The IUPAC name of 3-chloro-4-fluoro-N-methylaniline;hydrochloride (CID 71758224) is 3-chloro-4-fluoro-N-methylaniline;hydrochloride.
What is the SMILES notation for 3-chloro-4-fluoro-N-methylaniline;hydrochloride?
The canonical SMILES for 3-chloro-4-fluoro-N-methylaniline;hydrochloride is CNc1ccc(F)c(Cl)c1.Cl.
What is the InChIKey of 3-chloro-4-fluoro-N-methylaniline;hydrochloride?
The InChIKey is STFFUJKEVFUSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN.ClH/c1-10-5-2-3-7(9)6(8)4-5;/h2-4,10H,1H3;1H.
What are the key properties of 3-chloro-4-fluoro-N-methylaniline;hydrochloride?
3-chloro-4-fluoro-N-methylaniline;hydrochloride has a molecular weight of 196.05 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-methylaniline;hydrochloride is sourced from PubChem (CID 71758224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).