2-chloro-4-fluoro-N-methylaniline

C7H7ClFN — CID 21161232

IUPAC2-chloro-4-fluoro-N-methylaniline
SMILESCNc1ccc(F)cc1Cl
InChIInChI=1S/C7H7ClFN/c1-10-7-3-2-5(9)4-6(7)8/h2-4,10H,1H3
InChIKeyYVVKDPSCNAOEOK-UHFFFAOYSA-N
MW159.59 g/mol
LogP2.52
Rot. Bonds1

About 2-chloro-4-fluoro-N-methylaniline

2-chloro-4-fluoro-N-methylaniline (PubChem CID 21161232) has the molecular formula C7H7ClFN and a molecular weight of 159.59 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-methylaniline
PubChem CID21161232
Molecular FormulaC7H7ClFN
Molecular Weight159.59 g/mol
Exact Mass159.03
IUPAC Name2-chloro-4-fluoro-N-methylaniline
SMILESCNc1ccc(F)cc1Cl
InChIInChI=1S/C7H7ClFN/c1-10-7-3-2-5(9)4-6(7)8/h2-4,10H,1H3
InChIKeyYVVKDPSCNAOEOK-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.59
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-methylaniline
CID 2800935
2-chloro-4-fluoro-N-methylsulfanylaniline;ethane
CID 145359460
2,4-difluoro-N-methylaniline;methane
CID 157160236
N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62511235
methyl N-(2-chloro-4-fluorophenyl)carbamate
CID 115579852
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
2-chloro-N-(3,3-dimethylbutyl)-4-fluoroaniline
CID 63425145
2-chloro-4-fluoro-N-phenylaniline
CID 86051149
N-(2-chloro-4-fluorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304303
6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102716940
4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80756294
4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
CID 29080218

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-methylaniline?
The IUPAC name of 2-chloro-4-fluoro-N-methylaniline (CID 21161232) is 2-chloro-4-fluoro-N-methylaniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-methylaniline?
The canonical SMILES for 2-chloro-4-fluoro-N-methylaniline is CNc1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-methylaniline?
The InChIKey is YVVKDPSCNAOEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN/c1-10-7-3-2-5(9)4-6(7)8/h2-4,10H,1H3.
What are the key properties of 2-chloro-4-fluoro-N-methylaniline?
2-chloro-4-fluoro-N-methylaniline has a molecular weight of 159.59 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-methylaniline is sourced from PubChem (CID 21161232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).