5-(4-fluoropentyl)oxan-2-one

C10H17FO2 — CID 126707180

IUPAC5-(4-fluoropentyl)oxan-2-one
SMILESCC(F)CCCC1CCC(=O)OC1
InChIInChI=1S/C10H17FO2/c1-8(11)3-2-4-9-5-6-10(12)13-7-9/h8-9H,2-7H2,1H3
InChIKeyLRZASMSHCBFNOE-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.47
Rot. Bonds4

About 5-(4-fluoropentyl)oxan-2-one

5-(4-fluoropentyl)oxan-2-one (PubChem CID 126707180) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 5-(4-fluoropentyl)oxan-2-one.

Molecular Properties

Compound Name5-(4-fluoropentyl)oxan-2-one
PubChem CID126707180
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name5-(4-fluoropentyl)oxan-2-one
SMILESCC(F)CCCC1CCC(=O)OC1
InChIInChI=1S/C10H17FO2/c1-8(11)3-2-4-9-5-6-10(12)13-7-9/h8-9H,2-7H2,1H3
InChIKeyLRZASMSHCBFNOE-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoropentyl)oxan-2-one?
The IUPAC name of 5-(4-fluoropentyl)oxan-2-one (CID 126707180) is 5-(4-fluoropentyl)oxan-2-one.
What is the SMILES notation for 5-(4-fluoropentyl)oxan-2-one?
The canonical SMILES for 5-(4-fluoropentyl)oxan-2-one is CC(F)CCCC1CCC(=O)OC1.
What is the InChIKey of 5-(4-fluoropentyl)oxan-2-one?
The InChIKey is LRZASMSHCBFNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-8(11)3-2-4-9-5-6-10(12)13-7-9/h8-9H,2-7H2,1H3.
What are the key properties of 5-(4-fluoropentyl)oxan-2-one?
5-(4-fluoropentyl)oxan-2-one has a molecular weight of 188.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoropentyl)oxan-2-one is sourced from PubChem (CID 126707180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).