4-fluoro-2-pentyloxolane

C9H17FO — CID 11378659

IUPAC4-fluoro-2-pentyloxolane
SMILESCCCCCC1CC(F)CO1
InChIInChI=1S/C9H17FO/c1-2-3-4-5-9-6-8(10)7-11-9/h8-9H,2-7H2,1H3
InChIKeyCKICNJNLDOIWBH-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.69
Rot. Bonds4

About 4-fluoro-2-pentyloxolane

4-fluoro-2-pentyloxolane (PubChem CID 11378659) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 4-fluoro-2-pentyloxolane.

Molecular Properties

Compound Name4-fluoro-2-pentyloxolane
PubChem CID11378659
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name4-fluoro-2-pentyloxolane
SMILESCCCCCC1CC(F)CO1
InChIInChI=1S/C9H17FO/c1-2-3-4-5-9-6-8(10)7-11-9/h8-9H,2-7H2,1H3
InChIKeyCKICNJNLDOIWBH-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-pentyloxolane?
The IUPAC name of 4-fluoro-2-pentyloxolane (CID 11378659) is 4-fluoro-2-pentyloxolane.
What is the SMILES notation for 4-fluoro-2-pentyloxolane?
The canonical SMILES for 4-fluoro-2-pentyloxolane is CCCCCC1CC(F)CO1.
What is the InChIKey of 4-fluoro-2-pentyloxolane?
The InChIKey is CKICNJNLDOIWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-2-3-4-5-9-6-8(10)7-11-9/h8-9H,2-7H2,1H3.
What are the key properties of 4-fluoro-2-pentyloxolane?
4-fluoro-2-pentyloxolane has a molecular weight of 160.23 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-pentyloxolane is sourced from PubChem (CID 11378659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).