1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane

C12H22F2O — CID 171756121

IUPAC1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane
SMILESCC(C)C1CCC(OC(F)F)C1C(C)C
InChIInChI=1S/C12H22F2O/c1-7(2)9-5-6-10(15-12(13)14)11(9)8(3)4/h7-12H,5-6H2,1-4H3
InChIKeyRXWCREQCRVGYTO-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.93
Rot. Bonds4

About 1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane

1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane (PubChem CID 171756121) has the molecular formula C12H22F2O and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane.

Molecular Properties

Compound Name1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane
PubChem CID171756121
Molecular FormulaC12H22F2O
Molecular Weight220.30 g/mol
Exact Mass220.16
IUPAC Name1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane
SMILESCC(C)C1CCC(OC(F)F)C1C(C)C
InChIInChI=1S/C12H22F2O/c1-7(2)9-5-6-10(15-12(13)14)11(9)8(3)4/h7-12H,5-6H2,1-4H3
InChIKeyRXWCREQCRVGYTO-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane?
The IUPAC name of 1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane (CID 171756121) is 1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane.
What is the SMILES notation for 1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane?
The canonical SMILES for 1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane is CC(C)C1CCC(OC(F)F)C1C(C)C.
What is the InChIKey of 1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane?
The InChIKey is RXWCREQCRVGYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O/c1-7(2)9-5-6-10(15-12(13)14)11(9)8(3)4/h7-12H,5-6H2,1-4H3.
What are the key properties of 1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane?
1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane has a molecular weight of 220.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2,3-di(propan-2-yl)cyclopentane is sourced from PubChem (CID 171756121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).