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

C10H16F2O2 — CID 91262270

IUPAC1-(4,4-difluoropent-2-enoxy)-2-methoxycyclobutane
SMILESCOC1CCC1OCC=CC(C)(F)F
InChIInChI=1S/C10H16F2O2/c1-10(11,12)6-3-7-14-9-5-4-8(9)13-2/h3,6,8-9H,4-5,7H2,1-2H3
InChIKeyLJFPCCYFFIKOGW-UHFFFAOYSA-N
MW206.23 g/mol
LogP2.39
Rot. Bonds5

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

1-(4,4-difluoropent-2-enoxy)-2-methoxycyclobutane (PubChem CID 91262270) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclobutane.

Molecular Properties

Compound Name1-(4,4-difluoropent-2-enoxy)-2-methoxycyclobutane
PubChem CID91262270
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name1-(4,4-difluoropent-2-enoxy)-2-methoxycyclobutane
SMILESCOC1CCC1OCC=CC(C)(F)F
InChIInChI=1S/C10H16F2O2/c1-10(11,12)6-3-7-14-9-5-4-8(9)13-2/h3,6,8-9H,4-5,7H2,1-2H3
InChIKeyLJFPCCYFFIKOGW-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane
CID 70791119
1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclobutane
CID 70794062
1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclobutane
CID 70794076
1-[(E)-4,4-difluorohex-2-enoxy]-2-propan-2-yloxycyclobutane
CID 70794079
1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-ethoxycyclobutane
CID 70794080
1-(4,4-Difluoro-5-methylhex-2-enoxy)-2-propan-2-yloxycyclobutane
CID 77921453
(E)-4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene
CID 88215262
(E)-1-(3-ethoxybutan-2-yloxy)-4,4-difluorohex-2-ene
CID 88975413
4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene
CID 90724087
1,1,1-Trifluoro-4-(2-methoxyethoxy)pent-2-ene
CID 130243314
1-[(E)-4,4-difluoropent-2-enoxy]-2-methoxycyclobutane
CID 144089205
1-[(E)-4,4-difluoropent-2-enoxy]-2-methoxycyclopropane;ethane
CID 144089214

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclobutane?
The IUPAC name of 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclobutane (CID 91262270) is 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclobutane.
What is the SMILES notation for 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclobutane?
The canonical SMILES for 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclobutane is COC1CCC1OCC=CC(C)(F)F.
What is the InChIKey of 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclobutane?
The InChIKey is LJFPCCYFFIKOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-10(11,12)6-3-7-14-9-5-4-8(9)13-2/h3,6,8-9H,4-5,7H2,1-2H3.
What are the key properties of 1-(4,4-difluoropent-2-enoxy)-2-methoxycyclobutane?
1-(4,4-difluoropent-2-enoxy)-2-methoxycyclobutane has a molecular weight of 206.23 g/mol, XLogP of 2.39, 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-methoxycyclobutane is sourced from PubChem (CID 91262270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).