1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane

C11H20F2O — CID 139495077

IUPAC1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane
SMILESCC(C)COCCC1CCC(F)(F)C1
InChIInChI=1S/C11H20F2O/c1-9(2)8-14-6-4-10-3-5-11(12,13)7-10/h9-10H,3-8H2,1-2H3
InChIKeyYZLVWLXQWRXGSZ-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.48
Rot. Bonds5

About 1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane

1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane (PubChem CID 139495077) has the molecular formula C11H20F2O and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane.

Molecular Properties

Compound Name1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane
PubChem CID139495077
Molecular FormulaC11H20F2O
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane
SMILESCC(C)COCCC1CCC(F)(F)C1
InChIInChI=1S/C11H20F2O/c1-9(2)8-14-6-4-10-3-5-11(12,13)7-10/h9-10H,3-8H2,1-2H3
InChIKeyYZLVWLXQWRXGSZ-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane?
The IUPAC name of 1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane (CID 139495077) is 1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane.
What is the SMILES notation for 1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane?
The canonical SMILES for 1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane is CC(C)COCCC1CCC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane?
The InChIKey is YZLVWLXQWRXGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O/c1-9(2)8-14-6-4-10-3-5-11(12,13)7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane?
1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane has a molecular weight of 206.28 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane is sourced from PubChem (CID 139495077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).