4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one

C9H13FO3 — CID 129232449

IUPAC4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1C(C)CCCF
InChIInChI=1S/C9H13FO3/c1-6(4-3-5-10)8-7(2)12-9(11)13-8/h6,8H,2-5H2,1H3
InChIKeyHQNBASJJKPSMGX-UHFFFAOYSA-N
MW188.20 g/mol
LogP2.42
Rot. Bonds4

About 4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one

4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one (PubChem CID 129232449) has the molecular formula C9H13FO3 and a molecular weight of 188.20 g/mol. Its IUPAC name is 4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one
PubChem CID129232449
Molecular FormulaC9H13FO3
Molecular Weight188.20 g/mol
Exact Mass188.08
IUPAC Name4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1C(C)CCCF
InChIInChI=1S/C9H13FO3/c1-6(4-3-5-10)8-7(2)12-9(11)13-8/h6,8H,2-5H2,1H3
InChIKeyHQNBASJJKPSMGX-UHFFFAOYSA-N
XLogP2.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one?
The IUPAC name of 4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one (CID 129232449) is 4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one?
The canonical SMILES for 4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one is C=C1OC(=O)OC1C(C)CCCF.
What is the InChIKey of 4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one?
The InChIKey is HQNBASJJKPSMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO3/c1-6(4-3-5-10)8-7(2)12-9(11)13-8/h6,8H,2-5H2,1H3.
What are the key properties of 4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one?
4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one has a molecular weight of 188.20 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropentan-2-yl)-5-methylidene-1,3-dioxolan-2-one is sourced from PubChem (CID 129232449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).