N-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine

C8H10FN — CID 143572733

IUPACN-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine
SMILESC=CNC1C=CC(F)=CC1
InChIInChI=1S/C8H10FN/c1-2-10-8-5-3-7(9)4-6-8/h2-5,8,10H,1,6H2
InChIKeyDSJDHCFIBXPIHM-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.90
Rot. Bonds2

About N-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine

N-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 143572733) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is N-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine
PubChem CID143572733
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC NameN-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine
SMILESC=CNC1C=CC(F)=CC1
InChIInChI=1S/C8H10FN/c1-2-10-8-5-3-7(9)4-6-8/h2-5,8,10H,1,6H2
InChIKeyDSJDHCFIBXPIHM-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of N-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine (CID 143572733) is N-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine is C=CNC1C=CC(F)=CC1.
What is the InChIKey of N-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is DSJDHCFIBXPIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-2-10-8-5-3-7(9)4-6-8/h2-5,8,10H,1,6H2.
What are the key properties of N-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine?
N-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 139.17 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 143572733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).