2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane

C15H24F2O — CID 118601403

IUPAC2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane
SMILESCCCC1CCC(C2CCC(=C(F)F)CC2)OC1
InChIInChI=1S/C15H24F2O/c1-2-3-11-4-9-14(18-10-11)12-5-7-13(8-6-12)15(16)17/h11-12,14H,2-10H2,1H3
InChIKeyVWYNBVJEDCVZIH-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.92
Rot. Bonds3

About 2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane

2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane (PubChem CID 118601403) has the molecular formula C15H24F2O and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane.

Molecular Properties

Compound Name2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane
PubChem CID118601403
Molecular FormulaC15H24F2O
Molecular Weight258.35 g/mol
Exact Mass258.18
IUPAC Name2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane
SMILESCCCC1CCC(C2CCC(=C(F)F)CC2)OC1
InChIInChI=1S/C15H24F2O/c1-2-3-11-4-9-14(18-10-11)12-5-7-13(8-6-12)15(16)17/h11-12,14H,2-10H2,1H3
InChIKeyVWYNBVJEDCVZIH-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane?
The IUPAC name of 2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane (CID 118601403) is 2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane.
What is the SMILES notation for 2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane?
The canonical SMILES for 2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane is CCCC1CCC(C2CCC(=C(F)F)CC2)OC1.
What is the InChIKey of 2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane?
The InChIKey is VWYNBVJEDCVZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O/c1-2-3-11-4-9-14(18-10-11)12-5-7-13(8-6-12)15(16)17/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane?
2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane has a molecular weight of 258.35 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylidene)cyclohexyl]-5-propyloxane is sourced from PubChem (CID 118601403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).