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

C8H12FNO — CID 69280368

IUPAC4-ethoxy-4-fluorocyclohexa-1,5-dien-1-amine
SMILESCCOC1(F)C=CC(N)=CC1
InChIInChI=1S/C8H12FNO/c1-2-11-8(9)5-3-7(10)4-6-8/h3-5H,2,6,10H2,1H3
InChIKeyDPOILWCKMSWUOX-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.49
Rot. Bonds2

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

4-ethoxy-4-fluorocyclohexa-1,5-dien-1-amine (PubChem CID 69280368) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 4-ethoxy-4-fluorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-ethoxy-4-fluorocyclohexa-1,5-dien-1-amine
PubChem CID69280368
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name4-ethoxy-4-fluorocyclohexa-1,5-dien-1-amine
SMILESCCOC1(F)C=CC(N)=CC1
InChIInChI=1S/C8H12FNO/c1-2-11-8(9)5-3-7(10)4-6-8/h3-5H,2,6,10H2,1H3
InChIKeyDPOILWCKMSWUOX-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-fluorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-ethoxy-4-fluorocyclohexa-1,5-dien-1-amine (CID 69280368) is 4-ethoxy-4-fluorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-ethoxy-4-fluorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-ethoxy-4-fluorocyclohexa-1,5-dien-1-amine is CCOC1(F)C=CC(N)=CC1.
What is the InChIKey of 4-ethoxy-4-fluorocyclohexa-1,5-dien-1-amine?
The InChIKey is DPOILWCKMSWUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-2-11-8(9)5-3-7(10)4-6-8/h3-5H,2,6,10H2,1H3.
What are the key properties of 4-ethoxy-4-fluorocyclohexa-1,5-dien-1-amine?
4-ethoxy-4-fluorocyclohexa-1,5-dien-1-amine has a molecular weight of 157.19 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-fluorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 69280368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).