1-(4,4-difluoropentoxy)-2-methoxycyclopentane

C11H20F2O2 — CID 90892333

IUPAC1-(4,4-difluoropentoxy)-2-methoxycyclopentane
SMILESCOC1CCCC1OCCCC(C)(F)F
InChIInChI=1S/C11H20F2O2/c1-11(12,13)7-4-8-15-10-6-3-5-9(10)14-2/h9-10H,3-8H2,1-2H3
InChIKeyKUNCUHFIMAIBDC-UHFFFAOYSA-N
MW222.27 g/mol
LogP3.01
Rot. Bonds6

About 1-(4,4-difluoropentoxy)-2-methoxycyclopentane

1-(4,4-difluoropentoxy)-2-methoxycyclopentane (PubChem CID 90892333) has the molecular formula C11H20F2O2 and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(4,4-difluoropentoxy)-2-methoxycyclopentane.

Molecular Properties

Compound Name1-(4,4-difluoropentoxy)-2-methoxycyclopentane
PubChem CID90892333
Molecular FormulaC11H20F2O2
Molecular Weight222.27 g/mol
Exact Mass222.14
IUPAC Name1-(4,4-difluoropentoxy)-2-methoxycyclopentane
SMILESCOC1CCCC1OCCCC(C)(F)F
InChIInChI=1S/C11H20F2O2/c1-11(12,13)7-4-8-15-10-6-3-5-9(10)14-2/h9-10H,3-8H2,1-2H3
InChIKeyKUNCUHFIMAIBDC-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropentoxy)-2-methoxycyclopentane?
The IUPAC name of 1-(4,4-difluoropentoxy)-2-methoxycyclopentane (CID 90892333) is 1-(4,4-difluoropentoxy)-2-methoxycyclopentane.
What is the SMILES notation for 1-(4,4-difluoropentoxy)-2-methoxycyclopentane?
The canonical SMILES for 1-(4,4-difluoropentoxy)-2-methoxycyclopentane is COC1CCCC1OCCCC(C)(F)F.
What is the InChIKey of 1-(4,4-difluoropentoxy)-2-methoxycyclopentane?
The InChIKey is KUNCUHFIMAIBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O2/c1-11(12,13)7-4-8-15-10-6-3-5-9(10)14-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(4,4-difluoropentoxy)-2-methoxycyclopentane?
1-(4,4-difluoropentoxy)-2-methoxycyclopentane has a molecular weight of 222.27 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropentoxy)-2-methoxycyclopentane is sourced from PubChem (CID 90892333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).