1-(3-ethenylphenyl)-N-fluoroethanamine

C10H12FN — CID 174901284

IUPAC1-(3-ethenylphenyl)-N-fluoroethanamine
SMILESC=Cc1cccc(C(C)NF)c1
InChIInChI=1S/C10H12FN/c1-3-9-5-4-6-10(7-9)8(2)12-11/h3-8,12H,1H2,2H3
InChIKeyMGQZDAXNCKNQBT-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.86
Rot. Bonds3

About 1-(3-ethenylphenyl)-N-fluoroethanamine

1-(3-ethenylphenyl)-N-fluoroethanamine (PubChem CID 174901284) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 1-(3-ethenylphenyl)-N-fluoroethanamine.

Molecular Properties

Compound Name1-(3-ethenylphenyl)-N-fluoroethanamine
PubChem CID174901284
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name1-(3-ethenylphenyl)-N-fluoroethanamine
SMILESC=Cc1cccc(C(C)NF)c1
InChIInChI=1S/C10H12FN/c1-3-9-5-4-6-10(7-9)8(2)12-11/h3-8,12H,1H2,2H3
InChIKeyMGQZDAXNCKNQBT-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-3-(1-phenylethyl)benzene
CID 14750258
N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine
CID 150497042
N-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine
CID 151487959
(1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol
CID 131152404
1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene
CID 58982919
1-amino-1-(3-ethenylphenyl)propan-2-one
CID 55291831
ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene
CID 176998794
1-bromo-3-ethenylbenzene;1-bromo-3-propan-2-ylbenzene;1,4-dibromobenzene
CID 161168860
4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline
CID 70462536
1,3-bis(ethenyl)benzene;platinum;hexahydrochloride
CID 175502891
1-ethenyl-3-methylbenzene
CID 7529
3-(1-fluoro-2-methylpropyl)benzaldehyde
CID 83856184

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenylphenyl)-N-fluoroethanamine?
The IUPAC name of 1-(3-ethenylphenyl)-N-fluoroethanamine (CID 174901284) is 1-(3-ethenylphenyl)-N-fluoroethanamine.
What is the SMILES notation for 1-(3-ethenylphenyl)-N-fluoroethanamine?
The canonical SMILES for 1-(3-ethenylphenyl)-N-fluoroethanamine is C=Cc1cccc(C(C)NF)c1.
What is the InChIKey of 1-(3-ethenylphenyl)-N-fluoroethanamine?
The InChIKey is MGQZDAXNCKNQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-3-9-5-4-6-10(7-9)8(2)12-11/h3-8,12H,1H2,2H3.
What are the key properties of 1-(3-ethenylphenyl)-N-fluoroethanamine?
1-(3-ethenylphenyl)-N-fluoroethanamine has a molecular weight of 165.21 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenylphenyl)-N-fluoroethanamine is sourced from PubChem (CID 174901284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).