2-ethoxy-1,5-difluoro-4-methoxypent-2-ene

C8H14F2O2 — CID 123798607

IUPAC2-ethoxy-1,5-difluoro-4-methoxypent-2-ene
SMILESCCOC(=CC(CF)OC)CF
InChIInChI=1S/C8H14F2O2/c1-3-12-8(6-10)4-7(5-9)11-2/h4,7H,3,5-6H2,1-2H3
InChIKeyPUAGEQSGXQOVTH-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.86
Rot. Bonds6

About 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene

2-ethoxy-1,5-difluoro-4-methoxypent-2-ene (PubChem CID 123798607) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene.

Molecular Properties

Compound Name2-ethoxy-1,5-difluoro-4-methoxypent-2-ene
PubChem CID123798607
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name2-ethoxy-1,5-difluoro-4-methoxypent-2-ene
SMILESCCOC(=CC(CF)OC)CF
InChIInChI=1S/C8H14F2O2/c1-3-12-8(6-10)4-7(5-9)11-2/h4,7H,3,5-6H2,1-2H3
InChIKeyPUAGEQSGXQOVTH-UHFFFAOYSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,1,1-trifluoro-2,4-dimethoxypent-2-ene
CID 89492384
3-(2,2,2-Trifluoroethoxy)hepta-2,4-diene
CID 91263829
3-Ethoxy-1-fluoro-5-methoxycyclohexa-1,3-diene
CID 117790583
1,1,1,5-Tetrafluoro-2,4-dimethoxypent-2-ene
CID 123221717
1,1,1-Trifluoro-2,4-dimethoxypent-2-ene
CID 123570794
1,6-Difluoro-2-propan-2-yloxycyclohexa-1,3-diene
CID 129113003
1,1,1-Trifluoro-4-(2-methoxyethoxy)pent-2-ene
CID 130243314
(3Z,6E)-4,6-difluoro-3-[(E)-pent-3-en-2-yl]oxyocta-1,3,6-triene
CID 134448625
(3Z,5Z)-3-fluoro-4-[(E)-pent-3-en-2-yl]oxyhepta-1,3,5-triene
CID 134448842
(2E,4E)-3-ethoxy-4-fluorohepta-2,4-diene
CID 143532131
1,3,6-Trifluoro-2-propoxycyclohepta-1,3,5-triene
CID 143615725
(2E,4E)-4-ethoxy-1,1,1-trifluorohepta-2,4-diene
CID 145685007

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene?
The IUPAC name of 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene (CID 123798607) is 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene.
What is the SMILES notation for 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene?
The canonical SMILES for 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene is CCOC(=CC(CF)OC)CF.
What is the InChIKey of 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene?
The InChIKey is PUAGEQSGXQOVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-3-12-8(6-10)4-7(5-9)11-2/h4,7H,3,5-6H2,1-2H3.
What are the key properties of 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene?
2-ethoxy-1,5-difluoro-4-methoxypent-2-ene has a molecular weight of 180.19 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene is sourced from PubChem (CID 123798607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).