2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane

C13H20F2O — CID 20599559

IUPAC2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane
SMILESFC(F)=CC1CCC(C2CCCCO2)CC1
InChIInChI=1S/C13H20F2O/c14-13(15)9-10-4-6-11(7-5-10)12-3-1-2-8-16-12/h9-12H,1-8H2
InChIKeyWAWRSGCZXOWLGY-UHFFFAOYSA-N
MW230.30 g/mol
LogP4.14
Rot. Bonds2

About 2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane

2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane (PubChem CID 20599559) has the molecular formula C13H20F2O and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane
PubChem CID20599559
Molecular FormulaC13H20F2O
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane
SMILESFC(F)=CC1CCC(C2CCCCO2)CC1
InChIInChI=1S/C13H20F2O/c14-13(15)9-10-4-6-11(7-5-10)12-3-1-2-8-16-12/h9-12H,1-8H2
InChIKeyWAWRSGCZXOWLGY-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-Difluoroethenyl)-4-(4-dodecoxycyclohexyl)cyclohexane
CID 19842702
1-(2,2-Difluoroethenyl)-4-(4-ethoxycyclohexyl)cyclohexane
CID 19842730
1-Decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 19842733
1-Butoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 19842747
1-(2,2-Difluoroethenyl)-4-(4-propoxycyclohexyl)cyclohexane
CID 19842752
1-(2,2-Difluoroethenyl)-4-(4-pentoxycyclohexyl)cyclohexane
CID 19842753
1-(2,2-Difluoroethenyl)-4-(4-hexoxycyclohexyl)cyclohexane
CID 19842772
1-(2,2-Difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19842791
1-(2,2-Difluoroethenyl)-4-(4-octoxycyclohexyl)cyclohexane
CID 19842845
1-(2,2-Difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane
CID 19842846
1-(2,2-Difluoroethenyl)-4-(4-heptoxycyclohexyl)cyclohexane
CID 19842878
1-(2,2-Difluoroethenyl)-4-(4-undecoxycyclohexyl)cyclohexane
CID 19842897

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane?
The IUPAC name of 2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane (CID 20599559) is 2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane.
What is the SMILES notation for 2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane?
The canonical SMILES for 2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane is FC(F)=CC1CCC(C2CCCCO2)CC1.
What is the InChIKey of 2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane?
The InChIKey is WAWRSGCZXOWLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2O/c14-13(15)9-10-4-6-11(7-5-10)12-3-1-2-8-16-12/h9-12H,1-8H2.
What are the key properties of 2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane?
2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane has a molecular weight of 230.30 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethenyl)cyclohexyl]oxane is sourced from PubChem (CID 20599559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).