1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane

C10H18F2O — CID 169181725

IUPAC1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane
SMILESCC(C)C1CCC(COC(F)F)C1
InChIInChI=1S/C10H18F2O/c1-7(2)9-4-3-8(5-9)6-13-10(11)12/h7-10H,3-6H2,1-2H3
InChIKeyXONHSNABHJVCPY-UHFFFAOYSA-N
MW192.25 g/mol
LogP3.30
Rot. Bonds4

About 1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane

1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane (PubChem CID 169181725) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane
PubChem CID169181725
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane
SMILESCC(C)C1CCC(COC(F)F)C1
InChIInChI=1S/C10H18F2O/c1-7(2)9-4-3-8(5-9)6-13-10(11)12/h7-10H,3-6H2,1-2H3
InChIKeyXONHSNABHJVCPY-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane?
The IUPAC name of 1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane (CID 169181725) is 1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane.
What is the SMILES notation for 1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane?
The canonical SMILES for 1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane is CC(C)C1CCC(COC(F)F)C1.
What is the InChIKey of 1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane?
The InChIKey is XONHSNABHJVCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-7(2)9-4-3-8(5-9)6-13-10(11)12/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane?
1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane has a molecular weight of 192.25 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane is sourced from PubChem (CID 169181725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).