4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one

C10H14F2O3 — CID 101432696

IUPAC4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(C(F)(F)C2CCCCC2)O1
InChIInChI=1S/C10H14F2O3/c11-10(12,7-4-2-1-3-5-7)8-6-14-9(13)15-8/h7-8H,1-6H2
InChIKeyNZSVZHFWVHOGQO-UHFFFAOYSA-N
MW220.21 g/mol
LogP2.74
Rot. Bonds2

About 4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one

4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one (PubChem CID 101432696) has the molecular formula C10H14F2O3 and a molecular weight of 220.21 g/mol. Its IUPAC name is 4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one
PubChem CID101432696
Molecular FormulaC10H14F2O3
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Name4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(C(F)(F)C2CCCCC2)O1
InChIInChI=1S/C10H14F2O3/c11-10(12,7-4-2-1-3-5-7)8-6-14-9(13)15-8/h7-8H,1-6H2
InChIKeyNZSVZHFWVHOGQO-UHFFFAOYSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one (CID 101432696) is 4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one is O=C1OCC(C(F)(F)C2CCCCC2)O1.
What is the InChIKey of 4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one?
The InChIKey is NZSVZHFWVHOGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O3/c11-10(12,7-4-2-1-3-5-7)8-6-14-9(13)15-8/h7-8H,1-6H2.
What are the key properties of 4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one?
4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one has a molecular weight of 220.21 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 101432696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).