4-fluoro-2-hexyloxolane

C10H19FO — CID 22358453

IUPAC4-fluoro-2-hexyloxolane
SMILESCCCCCCC1CC(F)CO1
InChIInChI=1S/C10H19FO/c1-2-3-4-5-6-10-7-9(11)8-12-10/h9-10H,2-8H2,1H3
InChIKeyYEGDOAHILQNBMN-UHFFFAOYSA-N
MW174.26 g/mol
LogP3.08
Rot. Bonds5

About 4-fluoro-2-hexyloxolane

4-fluoro-2-hexyloxolane (PubChem CID 22358453) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 4-fluoro-2-hexyloxolane.

Molecular Properties

Compound Name4-fluoro-2-hexyloxolane
PubChem CID22358453
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name4-fluoro-2-hexyloxolane
SMILESCCCCCCC1CC(F)CO1
InChIInChI=1S/C10H19FO/c1-2-3-4-5-6-10-7-9(11)8-12-10/h9-10H,2-8H2,1H3
InChIKeyYEGDOAHILQNBMN-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 53.08
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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Related Compounds

2,5-Diethyltetrahydrofuran
CID 62913
2-Butyltetrahydrofuran
CID 13861
Furan, 2-heptyltetrahydro-
CID 102816
Furan, tetrahydro-2-octyl-
CID 110735
Cyclododecane, propoxy-
CID 105765
2-(Octadecyl)tetrahydrofuran
CID 10520053
2-(Heptadecyl)tetrahydrofuran
CID 10566968
2-(Tetradecyl)tetrahydrofuran
CID 10683364
2-Pentadecyltetrahydrofuran
CID 10708072
Furan, 2-hexadecyltetrahydro-
CID 10756379
2-Hexyltetrahydrofuran
CID 551183
2-Butoxyoctane
CID 10976213

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hexyloxolane?
The IUPAC name of 4-fluoro-2-hexyloxolane (CID 22358453) is 4-fluoro-2-hexyloxolane.
What is the SMILES notation for 4-fluoro-2-hexyloxolane?
The canonical SMILES for 4-fluoro-2-hexyloxolane is CCCCCCC1CC(F)CO1.
What is the InChIKey of 4-fluoro-2-hexyloxolane?
The InChIKey is YEGDOAHILQNBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-2-3-4-5-6-10-7-9(11)8-12-10/h9-10H,2-8H2,1H3.
What are the key properties of 4-fluoro-2-hexyloxolane?
4-fluoro-2-hexyloxolane has a molecular weight of 174.26 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hexyloxolane is sourced from PubChem (CID 22358453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).