3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine

C9H12FNO — CID 141316299

IUPAC3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine
SMILESCOC1C=CC(N)=CC1=CCF
InChIInChI=1S/C9H12FNO/c1-12-9-3-2-8(11)6-7(9)4-5-10/h2-4,6,9H,5,11H2,1H3
InChIKeyHFFAVFOAFXOIGX-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.31
Rot. Bonds2

About 3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine

3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine (PubChem CID 141316299) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine
PubChem CID141316299
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine
SMILESCOC1C=CC(N)=CC1=CCF
InChIInChI=1S/C9H12FNO/c1-12-9-3-2-8(11)6-7(9)4-5-10/h2-4,6,9H,5,11H2,1H3
InChIKeyHFFAVFOAFXOIGX-UHFFFAOYSA-N
XLogP1.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine?
The IUPAC name of 3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine (CID 141316299) is 3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine is COC1C=CC(N)=CC1=CCF.
What is the InChIKey of 3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine?
The InChIKey is HFFAVFOAFXOIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-12-9-3-2-8(11)6-7(9)4-5-10/h2-4,6,9H,5,11H2,1H3.
What are the key properties of 3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine?
3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine has a molecular weight of 169.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 141316299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).