1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane

C9H14F2O2 — CID 91492846

IUPAC1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane
SMILESCOC1CC1OCC=CC(C)(F)F
InChIInChI=1S/C9H14F2O2/c1-9(10,11)4-3-5-13-8-6-7(8)12-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyBWZWYAOPJFUDIA-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.00
Rot. Bonds5

About 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane

1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane (PubChem CID 91492846) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane.

Molecular Properties

Compound Name1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane
PubChem CID91492846
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane
SMILESCOC1CC1OCC=CC(C)(F)F
InChIInChI=1S/C9H14F2O2/c1-9(10,11)4-3-5-13-8-6-7(8)12-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyBWZWYAOPJFUDIA-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane?
The IUPAC name of 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane (CID 91492846) is 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane.
What is the SMILES notation for 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane?
The canonical SMILES for 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane is COC1CC1OCC=CC(C)(F)F.
What is the InChIKey of 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane?
The InChIKey is BWZWYAOPJFUDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-9(10,11)4-3-5-13-8-6-7(8)12-2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane?
1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane has a molecular weight of 192.20 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclopropane is sourced from PubChem (CID 91492846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).