3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane

C8H13FO — CID 88892414

IUPAC3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane
SMILESCC(F)C1CCC2OC2C1
InChIInChI=1S/C8H13FO/c1-5(9)6-2-3-7-8(4-6)10-7/h5-8H,2-4H2,1H3
InChIKeySPPOFZJPVIWASB-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.91
Rot. Bonds1

About 3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane

3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 88892414) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane
PubChem CID88892414
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane
SMILESCC(F)C1CCC2OC2C1
InChIInChI=1S/C8H13FO/c1-5(9)6-2-3-7-8(4-6)10-7/h5-8H,2-4H2,1H3
InChIKeySPPOFZJPVIWASB-UHFFFAOYSA-N
XLogP1.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.91
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

3-Methylcyclohexene oxide
CID 224244
3-Methyl-7-oxabicyclo(4.1.0)heptane
CID 535184
4-Ethylcyclohexene oxide
CID 145736
3-Tert-butyl-7-oxabicyclo[4.1.0]heptane
CID 12575004
(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptane
CID 642968
(1R,2R,6S)-2-methyl-7-oxabicyclo[4.1.0]heptane
CID 642969
(4R)-4-(2-fluoropropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 134946576
(4S)-4-(2-fluoropropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 154714586
(1S,3R,4S,6R)-3,4-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 59107301
2,5-Dimethyl cyclohexene oxide
CID 59962303
(1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane
CID 131878996
3-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)-7-oxabicyclo[4.1.0]heptane
CID 19013697

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane (CID 88892414) is 3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane is CC(F)C1CCC2OC2C1.
What is the InChIKey of 3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is SPPOFZJPVIWASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-5(9)6-2-3-7-8(4-6)10-7/h5-8H,2-4H2,1H3.
What are the key properties of 3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane?
3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 144.19 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 88892414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).