2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene

C10H15FO — CID 23405504

IUPAC2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene
SMILESCC1(C)OC(C)(F)C2C=CC1C2
InChIInChI=1S/C10H15FO/c1-9(2)7-4-5-8(6-7)10(3,11)12-9/h4-5,7-8H,6H2,1-3H3
InChIKeyXMLLCYWZGBEWDZ-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.67
Rot. Bonds

About 2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene

2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene (PubChem CID 23405504) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene
PubChem CID23405504
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene
SMILESCC1(C)OC(C)(F)C2C=CC1C2
InChIInChI=1S/C10H15FO/c1-9(2)7-4-5-8(6-7)10(3,11)12-9/h4-5,7-8H,6H2,1-3H3
InChIKeyXMLLCYWZGBEWDZ-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene with MolForge

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Launch Full Analysis

Related Compounds

4,7,7-Trimethyl-6-oxabicyclo[3.2.1]oct-2-ene
CID 72746984
4-Fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene
CID 23405425
4-Fluoro-2-methyl-1,2,4-tris(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene
CID 145856333
2-Fluoro-4,4-dimethyl-2-(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene
CID 145856336
2-Methyl-1,2,4,4-tetrakis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene
CID 149457379
(1S,4R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene
CID 162867472
(1R,4S,5S)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene
CID 15173130
2,7,7-Trimethyl-5-propan-2-yl-6-oxabicyclo[3.2.1]oct-2-ene
CID 21637367
2,7-Dimethyl-5-propan-2-yl-7-prop-2-enyl-6-oxabicyclo[3.2.1]oct-2-ene
CID 21637369

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene?
The IUPAC name of 2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene (CID 23405504) is 2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene is CC1(C)OC(C)(F)C2C=CC1C2.
What is the InChIKey of 2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene?
The InChIKey is XMLLCYWZGBEWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-9(2)7-4-5-8(6-7)10(3,11)12-9/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene?
2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene has a molecular weight of 170.23 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,4,4-trimethyl-3-oxabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 23405504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).