4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline

C9H10ClFN2 — CID 171509214

IUPAC4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline
SMILESC/C=N\CNc1ccc(Cl)c(F)c1
InChIInChI=1S/C9H10ClFN2/c1-2-12-6-13-7-3-4-8(10)9(11)5-7/h2-5,13H,6H2,1H3/b12-2-
InChIKeyHMPNZEAWXJBDJC-OIXVIMQBSA-N
MW200.64 g/mol
LogP2.94
Rot. Bonds3

About 4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline

4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline (PubChem CID 171509214) has the molecular formula C9H10ClFN2 and a molecular weight of 200.64 g/mol. Its IUPAC name is 4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline
PubChem CID171509214
Molecular FormulaC9H10ClFN2
Molecular Weight200.64 g/mol
Exact Mass200.05
IUPAC Name4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline
SMILESC/C=N\CNc1ccc(Cl)c(F)c1
InChIInChI=1S/C9H10ClFN2/c1-2-12-6-13-7-3-4-8(10)9(11)5-7/h2-5,13H,6H2,1H3/b12-2-
InChIKeyHMPNZEAWXJBDJC-OIXVIMQBSA-N
XLogP2.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-fluoro-N-(2-fluoroethyl)aniline
CID 80695979
4-chloro-N-(2-ethylsulfanylethyl)-3-fluoroaniline
CID 115882008
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513
N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine
CID 130604425
3-(4-chloro-3-fluoroanilino)-2-methylpropanenitrile
CID 61466785
4-chloro-3-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43721327
3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
CID 104644162
4-chloro-3-fluoro-N-(4,4,4-trifluorobutyl)aniline
CID 115513611
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline
CID 61467052
(4-chloro-3-fluorophenyl)hydrazine
CID 53413991

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline?
The IUPAC name of 4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline (CID 171509214) is 4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline.
What is the SMILES notation for 4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline?
The canonical SMILES for 4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline is C/C=N\CNc1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline?
The InChIKey is HMPNZEAWXJBDJC-OIXVIMQBSA-N. The full InChI is InChI=1S/C9H10ClFN2/c1-2-12-6-13-7-3-4-8(10)9(11)5-7/h2-5,13H,6H2,1H3/b12-2-.
What are the key properties of 4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline?
4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline has a molecular weight of 200.64 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline is sourced from PubChem (CID 171509214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).