1-fluoro-13-oxabicyclo[10.1.0]tridecane

C12H21FO — CID 11052651

IUPAC1-fluoro-13-oxabicyclo[10.1.0]tridecane
SMILESFC12CCCCCCCCCCC1O2
InChIInChI=1S/C12H21FO/c13-12-10-8-6-4-2-1-3-5-7-9-11(12)14-12/h11H,1-10H2
InChIKeyMTHWNWIXGWSPBH-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.97
Rot. Bonds

About 1-fluoro-13-oxabicyclo[10.1.0]tridecane

1-fluoro-13-oxabicyclo[10.1.0]tridecane (PubChem CID 11052651) has the molecular formula C12H21FO and a molecular weight of 200.30 g/mol. Its IUPAC name is 1-fluoro-13-oxabicyclo[10.1.0]tridecane.

Molecular Properties

Compound Name1-fluoro-13-oxabicyclo[10.1.0]tridecane
PubChem CID11052651
Molecular FormulaC12H21FO
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Name1-fluoro-13-oxabicyclo[10.1.0]tridecane
SMILESFC12CCCCCCCCCCC1O2
InChIInChI=1S/C12H21FO/c13-12-10-8-6-4-2-1-3-5-7-9-11(12)14-12/h11H,1-10H2
InChIKeyMTHWNWIXGWSPBH-UHFFFAOYSA-N
XLogP3.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane
CID 4694469
(10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane
CID 134992826
1-ethyl-9-oxabicyclo[6.1.0]nonane
CID 19373802
1-tert-butyl-13-oxabicyclo[10.1.0]tridecane
CID 139970626
7-oxabicyclo[4.1.0]heptan-1-ol
CID 12599618
1-ethenyl-9-oxabicyclo[6.1.0]nonane
CID 57483484
9-oxabicyclo[6.1.0]nonan-1-ylmethanol
CID 130147678
1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane
CID 173352851
2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane
CID 161268792
11-oxadispiro[2.0.64.13]undecane
CID 24976266
1-(2-phenylethynyl)-13-oxabicyclo[10.1.0]tridecane
CID 24806214
(2R)-2-cyclohexyl-1,1-difluorocyclohexane
CID 125450825

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-13-oxabicyclo[10.1.0]tridecane?
The IUPAC name of 1-fluoro-13-oxabicyclo[10.1.0]tridecane (CID 11052651) is 1-fluoro-13-oxabicyclo[10.1.0]tridecane.
What is the SMILES notation for 1-fluoro-13-oxabicyclo[10.1.0]tridecane?
The canonical SMILES for 1-fluoro-13-oxabicyclo[10.1.0]tridecane is FC12CCCCCCCCCCC1O2.
What is the InChIKey of 1-fluoro-13-oxabicyclo[10.1.0]tridecane?
The InChIKey is MTHWNWIXGWSPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO/c13-12-10-8-6-4-2-1-3-5-7-9-11(12)14-12/h11H,1-10H2.
What are the key properties of 1-fluoro-13-oxabicyclo[10.1.0]tridecane?
1-fluoro-13-oxabicyclo[10.1.0]tridecane has a molecular weight of 200.30 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-13-oxabicyclo[10.1.0]tridecane is sourced from PubChem (CID 11052651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).