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

C8H12FN — CID 89185917

IUPAC3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
SMILESCCC1C=C(N)C=CC1F
InChIInChI=1S/C8H12FN/c1-2-6-5-7(10)3-4-8(6)9/h3-6,8H,2,10H2,1H3
InChIKeyWHVQLOLSKWNSQV-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.76
Rot. Bonds1

About 3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine

3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine (PubChem CID 89185917) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
PubChem CID89185917
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
SMILESCCC1C=C(N)C=CC1F
InChIInChI=1S/C8H12FN/c1-2-6-5-7(10)3-4-8(6)9/h3-6,8H,2,10H2,1H3
InChIKeyWHVQLOLSKWNSQV-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine (CID 89185917) is 3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine is CCC1C=C(N)C=CC1F.
What is the InChIKey of 3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine?
The InChIKey is WHVQLOLSKWNSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-2-6-5-7(10)3-4-8(6)9/h3-6,8H,2,10H2,1H3.
What are the key properties of 3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine?
3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-fluorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 89185917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).