1-(difluoromethoxy)-2-propan-2-ylcyclopentane

C9H16F2O — CID 169111714

IUPAC1-(difluoromethoxy)-2-propan-2-ylcyclopentane
SMILESCC(C)C1CCCC1OC(F)F
InChIInChI=1S/C9H16F2O/c1-6(2)7-4-3-5-8(7)12-9(10)11/h6-9H,3-5H2,1-2H3
InChIKeyJONYAHHSYHGMTQ-UHFFFAOYSA-N
MW178.22 g/mol
LogP3.05
Rot. Bonds3

About 1-(difluoromethoxy)-2-propan-2-ylcyclopentane

1-(difluoromethoxy)-2-propan-2-ylcyclopentane (PubChem CID 169111714) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-propan-2-ylcyclopentane
PubChem CID169111714
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1-(difluoromethoxy)-2-propan-2-ylcyclopentane
SMILESCC(C)C1CCCC1OC(F)F
InChIInChI=1S/C9H16F2O/c1-6(2)7-4-3-5-8(7)12-9(10)11/h6-9H,3-5H2,1-2H3
InChIKeyJONYAHHSYHGMTQ-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-propan-2-ylcyclopentane?
The IUPAC name of 1-(difluoromethoxy)-2-propan-2-ylcyclopentane (CID 169111714) is 1-(difluoromethoxy)-2-propan-2-ylcyclopentane.
What is the SMILES notation for 1-(difluoromethoxy)-2-propan-2-ylcyclopentane?
The canonical SMILES for 1-(difluoromethoxy)-2-propan-2-ylcyclopentane is CC(C)C1CCCC1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-propan-2-ylcyclopentane?
The InChIKey is JONYAHHSYHGMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-6(2)7-4-3-5-8(7)12-9(10)11/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-2-propan-2-ylcyclopentane?
1-(difluoromethoxy)-2-propan-2-ylcyclopentane has a molecular weight of 178.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-propan-2-ylcyclopentane is sourced from PubChem (CID 169111714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).