4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane

C14H22F2O — CID 170274165

IUPAC4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane
SMILESC=C(CCC)C(=C)COC1CCC(F)(F)CC1
InChIInChI=1S/C14H22F2O/c1-4-5-11(2)12(3)10-17-13-6-8-14(15,16)9-7-13/h13H,2-10H2,1H3
InChIKeyWRHOYFQICZPGNT-UHFFFAOYSA-N
MW244.32 g/mol
LogP4.49
Rot. Bonds6

About 4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane

4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane (PubChem CID 170274165) has the molecular formula C14H22F2O and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane.

Molecular Properties

Compound Name4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane
PubChem CID170274165
Molecular FormulaC14H22F2O
Molecular Weight244.32 g/mol
Exact Mass244.16
IUPAC Name4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane
SMILESC=C(CCC)C(=C)COC1CCC(F)(F)CC1
InChIInChI=1S/C14H22F2O/c1-4-5-11(2)12(3)10-17-13-6-8-14(15,16)9-7-13/h13H,2-10H2,1H3
InChIKeyWRHOYFQICZPGNT-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane?
The IUPAC name of 4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane (CID 170274165) is 4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane.
What is the SMILES notation for 4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane?
The canonical SMILES for 4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane is C=C(CCC)C(=C)COC1CCC(F)(F)CC1.
What is the InChIKey of 4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane?
The InChIKey is WRHOYFQICZPGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2O/c1-4-5-11(2)12(3)10-17-13-6-8-14(15,16)9-7-13/h13H,2-10H2,1H3.
What are the key properties of 4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane?
4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane has a molecular weight of 244.32 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylidenehexoxy)-1,1-difluorocyclohexane is sourced from PubChem (CID 170274165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).