4-fluoro-N,2-bis(prop-2-enyl)aniline

C12H14FN — CID 45141264

IUPAC4-fluoro-N,2-bis(prop-2-enyl)aniline
SMILESC=CCNc1ccc(F)cc1CC=C
InChIInChI=1S/C12H14FN/c1-3-5-10-9-11(13)6-7-12(10)14-8-4-2/h3-4,6-7,9,14H,1-2,5,8H2
InChIKeyVMRPIFRCONYQED-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.15
Rot. Bonds5

About 4-fluoro-N,2-bis(prop-2-enyl)aniline

4-fluoro-N,2-bis(prop-2-enyl)aniline (PubChem CID 45141264) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-fluoro-N,2-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name4-fluoro-N,2-bis(prop-2-enyl)aniline
PubChem CID45141264
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name4-fluoro-N,2-bis(prop-2-enyl)aniline
SMILESC=CCNc1ccc(F)cc1CC=C
InChIInChI=1S/C12H14FN/c1-3-5-10-9-11(13)6-7-12(10)14-8-4-2/h3-4,6-7,9,14H,1-2,5,8H2
InChIKeyVMRPIFRCONYQED-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-methyl-N-prop-2-enylaniline
CID 62141811
5-fluoro-2-(prop-2-enylamino)benzoic acid
CID 63674508
4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline
CID 62866721
(4-fluoro-2-prop-2-enylphenyl)methanol
CID 118307113
N-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide
CID 101469138
(4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane
CID 66925498
3,5-difluoro-N-prop-2-enylaniline
CID 62141812
N,2-diethyl-4-fluoroaniline
CID 23348964
[2-(prop-2-enylamino)phenyl]methanol
CID 15084062
2,4-dimethyl-N-prop-2-enylaniline
CID 11768869
N-[(2-chloro-4-fluorophenyl)methyl]prop-2-en-1-amine
CID 28563338
2-(4-fluoro-2-prop-2-enylanilino)-2-(trifluoromethyl)-3H-pyridine-4-carboxylic acid
CID 170438026

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2-bis(prop-2-enyl)aniline?
The IUPAC name of 4-fluoro-N,2-bis(prop-2-enyl)aniline (CID 45141264) is 4-fluoro-N,2-bis(prop-2-enyl)aniline.
What is the SMILES notation for 4-fluoro-N,2-bis(prop-2-enyl)aniline?
The canonical SMILES for 4-fluoro-N,2-bis(prop-2-enyl)aniline is C=CCNc1ccc(F)cc1CC=C.
What is the InChIKey of 4-fluoro-N,2-bis(prop-2-enyl)aniline?
The InChIKey is VMRPIFRCONYQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-3-5-10-9-11(13)6-7-12(10)14-8-4-2/h3-4,6-7,9,14H,1-2,5,8H2.
What are the key properties of 4-fluoro-N,2-bis(prop-2-enyl)aniline?
4-fluoro-N,2-bis(prop-2-enyl)aniline has a molecular weight of 191.25 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,2-bis(prop-2-enyl)aniline is sourced from PubChem (CID 45141264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).