4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one

C11H15FO3 — CID 89425098

IUPAC4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1CC1CCC(F)CC1
InChIInChI=1S/C11H15FO3/c1-7-10(15-11(13)14-7)6-8-2-4-9(12)5-3-8/h8-10H,1-6H2
InChIKeyWHEPFJDNWDYRRB-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.95
Rot. Bonds2

About 4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one

4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one (PubChem CID 89425098) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is 4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one
PubChem CID89425098
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1CC1CCC(F)CC1
InChIInChI=1S/C11H15FO3/c1-7-10(15-11(13)14-7)6-8-2-4-9(12)5-3-8/h8-10H,1-6H2
InChIKeyWHEPFJDNWDYRRB-UHFFFAOYSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one?
The IUPAC name of 4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one (CID 89425098) is 4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one is C=C1OC(=O)OC1CC1CCC(F)CC1.
What is the InChIKey of 4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one?
The InChIKey is WHEPFJDNWDYRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3/c1-7-10(15-11(13)14-7)6-8-2-4-9(12)5-3-8/h8-10H,1-6H2.
What are the key properties of 4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one?
4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one has a molecular weight of 214.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one is sourced from PubChem (CID 89425098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).