5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine

C8H12FN — CID 163660425

IUPAC5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine
SMILESCCC1=CC(N)=C(F)CC1
InChIInChI=1S/C8H12FN/c1-2-6-3-4-7(9)8(10)5-6/h5H,2-4,10H2,1H3
InChIKeyITXRCJVPRBQSHW-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.26
Rot. Bonds1

About 5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine

5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine (PubChem CID 163660425) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine
PubChem CID163660425
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine
SMILESCCC1=CC(N)=C(F)CC1
InChIInChI=1S/C8H12FN/c1-2-6-3-4-7(9)8(10)5-6/h5H,2-4,10H2,1H3
InChIKeyITXRCJVPRBQSHW-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine (CID 163660425) is 5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine is CCC1=CC(N)=C(F)CC1.
What is the InChIKey of 5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine?
The InChIKey is ITXRCJVPRBQSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-2-6-3-4-7(9)8(10)5-6/h5H,2-4,10H2,1H3.
What are the key properties of 5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine?
5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 163660425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).