5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine

C8H12FN — CID 134389739

IUPAC5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
SMILESCCC1=CC(N)=CCC1F
InChIInChI=1S/C8H12FN/c1-2-6-5-7(10)3-4-8(6)9/h3,5,8H,2,4,10H2,1H3
InChIKeyIUODQDXSZBAONN-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.91
Rot. Bonds1

About 5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine

5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine (PubChem CID 134389739) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
PubChem CID134389739
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
SMILESCCC1=CC(N)=CCC1F
InChIInChI=1S/C8H12FN/c1-2-6-5-7(10)3-4-8(6)9/h3,5,8H,2,4,10H2,1H3
InChIKeyIUODQDXSZBAONN-UHFFFAOYSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzo[7]annulen-7-amine
CID 19915662
4-(Fluoromethyl)cyclohexa-1,3-dien-1-amine
CID 57861961
5-Fluoro-6-methylcyclohexa-1,5-dien-1-amine
CID 68217515
5-Fluoro-4-methylcyclohexa-1,3-dien-1-amine
CID 68231402
5-Fluorocyclohexa-1,5-dien-1-amine
CID 68342260
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
3-Ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89185917
(3E,5E)-6-fluoro-5-methylhepta-1,3,5-trien-3-amine
CID 89214934
(E,1E)-4,4,4-trifluoro-3-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-1-amine
CID 89989497
4-Fluoro-4-methylcyclohexa-1,5-dien-1-amine
CID 117734555
1-(2-Fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine
CID 118534647
(4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine
CID 118616269

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine (CID 134389739) is 5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine is CCC1=CC(N)=CCC1F.
What is the InChIKey of 5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine?
The InChIKey is IUODQDXSZBAONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-2-6-5-7(10)3-4-8(6)9/h3,5,8H,2,4,10H2,1H3.
What are the key properties of 5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine?
5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-fluorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 134389739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).