N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine

C10H16FN — CID 155737109

IUPACN-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine
SMILESCCNCCC1=C(F)CCC=C1
InChIInChI=1S/C10H16FN/c1-2-12-8-7-9-5-3-4-6-10(9)11/h3,5,12H,2,4,6-8H2,1H3
InChIKeyCBCNDANQXQRFEF-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.56
Rot. Bonds4

About N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine

N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine (PubChem CID 155737109) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine
PubChem CID155737109
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC NameN-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine
SMILESCCNCCC1=C(F)CCC=C1
InChIInChI=1S/C10H16FN/c1-2-12-8-7-9-5-3-4-6-10(9)11/h3,5,12H,2,4,6-8H2,1H3
InChIKeyCBCNDANQXQRFEF-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine (CID 155737109) is N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine is CCNCCC1=C(F)CCC=C1.
What is the InChIKey of N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine?
The InChIKey is CBCNDANQXQRFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-2-12-8-7-9-5-3-4-6-10(9)11/h3,5,12H,2,4,6-8H2,1H3.
What are the key properties of N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine?
N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine has a molecular weight of 169.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine is sourced from PubChem (CID 155737109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).