3,5-dichloro-4-fluoro-N-methylaniline

C7H6Cl2FN — CID 103579814

IUPAC3,5-dichloro-4-fluoro-N-methylaniline
SMILESCNc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C7H6Cl2FN/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,11H,1H3
InChIKeyINOYNMWFHARIJS-UHFFFAOYSA-N
MW194.04 g/mol
LogP3.17
Rot. Bonds1

About 3,5-dichloro-4-fluoro-N-methylaniline

3,5-dichloro-4-fluoro-N-methylaniline (PubChem CID 103579814) has the molecular formula C7H6Cl2FN and a molecular weight of 194.04 g/mol. Its IUPAC name is 3,5-dichloro-4-fluoro-N-methylaniline.

Molecular Properties

Compound Name3,5-dichloro-4-fluoro-N-methylaniline
PubChem CID103579814
Molecular FormulaC7H6Cl2FN
Molecular Weight194.04 g/mol
Exact Mass192.99
IUPAC Name3,5-dichloro-4-fluoro-N-methylaniline
SMILESCNc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C7H6Cl2FN/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,11H,1H3
InChIKeyINOYNMWFHARIJS-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide
CID 107578422
3-chloro-4-fluoro-N-methylaniline;ethane
CID 142993697
3-chloro-4,5-difluoro-N-oxidoaniline
CID 149156219
N-but-2-ynyl-3,5-dichloro-4-fluoroaniline
CID 107573881
2-cyclopropyl-4-N-(3,5-dichloro-4-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107580777
3,5-dichloro-4-fluoro-N-(4-methylcyclohexyl)aniline
CID 107572849
1-amino-3-(3,5-dichloro-4-fluorophenyl)thiourea
CID 51000156
3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473411
3-[(3,5-dichloro-4-fluoroanilino)methyl]pentan-3-ol
CID 107573798
3,5-dichloro-4-fluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 107572836
(2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid
CID 155255266
3,5-dichloro-4-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 107572672

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-fluoro-N-methylaniline?
The IUPAC name of 3,5-dichloro-4-fluoro-N-methylaniline (CID 103579814) is 3,5-dichloro-4-fluoro-N-methylaniline.
What is the SMILES notation for 3,5-dichloro-4-fluoro-N-methylaniline?
The canonical SMILES for 3,5-dichloro-4-fluoro-N-methylaniline is CNc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-fluoro-N-methylaniline?
The InChIKey is INOYNMWFHARIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2FN/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,11H,1H3.
What are the key properties of 3,5-dichloro-4-fluoro-N-methylaniline?
3,5-dichloro-4-fluoro-N-methylaniline has a molecular weight of 194.04 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-fluoro-N-methylaniline is sourced from PubChem (CID 103579814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).