N-(1-fluoroethenyl)-N-(methylideneamino)aniline

C9H9FN2 — CID 144934354

IUPACN-(1-fluoroethenyl)-N-(methylideneamino)aniline
SMILESC=NN(C(=C)F)c1ccccc1
InChIInChI=1S/C9H9FN2/c1-8(10)12(11-2)9-6-4-3-5-7-9/h3-7H,1-2H2
InChIKeyXMSMHOLHSKFUBF-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.55
Rot. Bonds3

About N-(1-fluoroethenyl)-N-(methylideneamino)aniline

N-(1-fluoroethenyl)-N-(methylideneamino)aniline (PubChem CID 144934354) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is N-(1-fluoroethenyl)-N-(methylideneamino)aniline.

Molecular Properties

Compound NameN-(1-fluoroethenyl)-N-(methylideneamino)aniline
PubChem CID144934354
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC NameN-(1-fluoroethenyl)-N-(methylideneamino)aniline
SMILESC=NN(C(=C)F)c1ccccc1
InChIInChI=1S/C9H9FN2/c1-8(10)12(11-2)9-6-4-3-5-7-9/h3-7H,1-2H2
InChIKeyXMSMHOLHSKFUBF-UHFFFAOYSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethylaniline
CID 949
N-Methyl-N-nitrosoaniline
CID 11957
4-Fluoro-N-methyl-N-nitrosobenzenamine
CID 13641
N-Nitroso-N-ethylaniline
CID 11929
1-Ethyl-1-phenylhydrazine
CID 69517
N-methyl-N-phenyl-hydrazine
CID 36299
1,4-Diphenyl-1,4-dihydro-1,2,4,5-tetrazine
CID 270926
N,N-Dimethyl-4-fluoroaniline
CID 136249
N-butyl-N-nitrosoaniline
CID 146990
Phenyltrimethylammonium
CID 15914
Simtrazene
CID 5357669
Acetaldehyde diphenylhydrazone
CID 9562463

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroethenyl)-N-(methylideneamino)aniline?
The IUPAC name of N-(1-fluoroethenyl)-N-(methylideneamino)aniline (CID 144934354) is N-(1-fluoroethenyl)-N-(methylideneamino)aniline.
What is the SMILES notation for N-(1-fluoroethenyl)-N-(methylideneamino)aniline?
The canonical SMILES for N-(1-fluoroethenyl)-N-(methylideneamino)aniline is C=NN(C(=C)F)c1ccccc1.
What is the InChIKey of N-(1-fluoroethenyl)-N-(methylideneamino)aniline?
The InChIKey is XMSMHOLHSKFUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c1-8(10)12(11-2)9-6-4-3-5-7-9/h3-7H,1-2H2.
What are the key properties of N-(1-fluoroethenyl)-N-(methylideneamino)aniline?
N-(1-fluoroethenyl)-N-(methylideneamino)aniline has a molecular weight of 164.18 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoroethenyl)-N-(methylideneamino)aniline is sourced from PubChem (CID 144934354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).