2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane

C15H24F2O — CID 20599571

IUPAC2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane
SMILESCC1CCC(C2CCC(CC=C(F)F)CC2)OC1
InChIInChI=1S/C15H24F2O/c1-11-2-8-14(18-10-11)13-6-3-12(4-7-13)5-9-15(16)17/h9,11-14H,2-8,10H2,1H3
InChIKeyDQKJSOPUQWBAAN-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.78
Rot. Bonds3

About 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane

2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane (PubChem CID 20599571) has the molecular formula C15H24F2O and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane.

Molecular Properties

Compound Name2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane
PubChem CID20599571
Molecular FormulaC15H24F2O
Molecular Weight258.35 g/mol
Exact Mass258.18
IUPAC Name2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane
SMILESCC1CCC(C2CCC(CC=C(F)F)CC2)OC1
InChIInChI=1S/C15H24F2O/c1-11-2-8-14(18-10-11)13-6-3-12(4-7-13)5-9-15(16)17/h9,11-14H,2-8,10H2,1H3
InChIKeyDQKJSOPUQWBAAN-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane?
The IUPAC name of 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane (CID 20599571) is 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane.
What is the SMILES notation for 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane?
The canonical SMILES for 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane is CC1CCC(C2CCC(CC=C(F)F)CC2)OC1.
What is the InChIKey of 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane?
The InChIKey is DQKJSOPUQWBAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O/c1-11-2-8-14(18-10-11)13-6-3-12(4-7-13)5-9-15(16)17/h9,11-14H,2-8,10H2,1H3.
What are the key properties of 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane?
2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane has a molecular weight of 258.35 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyloxane is sourced from PubChem (CID 20599571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).