3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane

C11H18F2O — CID 129304625

IUPAC3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane
SMILESC=CCC(CC1CC(F)(F)C1)OCC
InChIInChI=1S/C11H18F2O/c1-3-5-10(14-4-2)6-9-7-11(12,13)8-9/h3,9-10H,1,4-8H2,2H3
InChIKeyBWRRVOYCJMQRCH-UHFFFAOYSA-N
MW204.26 g/mol
LogP3.40
Rot. Bonds6

About 3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane

3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane (PubChem CID 129304625) has the molecular formula C11H18F2O and a molecular weight of 204.26 g/mol. Its IUPAC name is 3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane.

Molecular Properties

Compound Name3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane
PubChem CID129304625
Molecular FormulaC11H18F2O
Molecular Weight204.26 g/mol
Exact Mass204.13
IUPAC Name3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane
SMILESC=CCC(CC1CC(F)(F)C1)OCC
InChIInChI=1S/C11H18F2O/c1-3-5-10(14-4-2)6-9-7-11(12,13)8-9/h3,9-10H,1,4-8H2,2H3
InChIKeyBWRRVOYCJMQRCH-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane?
The IUPAC name of 3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane (CID 129304625) is 3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane.
What is the SMILES notation for 3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane?
The canonical SMILES for 3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane is C=CCC(CC1CC(F)(F)C1)OCC.
What is the InChIKey of 3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane?
The InChIKey is BWRRVOYCJMQRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O/c1-3-5-10(14-4-2)6-9-7-11(12,13)8-9/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane?
3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane has a molecular weight of 204.26 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypent-4-enyl)-1,1-difluorocyclobutane is sourced from PubChem (CID 129304625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).