1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane

C16H24F4O — CID 138493513

IUPAC1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane
SMILESCC1CCC(OC(F)(F)C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C16H24F4O/c1-11-2-8-14(9-3-11)21-16(19,20)13-6-4-12(5-7-13)10-15(17)18/h10-14H,2-9H2,1H3
InChIKeyDMHFUQVZBFEAQW-UHFFFAOYSA-N
MW308.36 g/mol
LogP5.76
Rot. Bonds4

About 1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane

1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane (PubChem CID 138493513) has the molecular formula C16H24F4O and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane
PubChem CID138493513
Molecular FormulaC16H24F4O
Molecular Weight308.36 g/mol
Exact Mass308.18
IUPAC Name1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane
SMILESCC1CCC(OC(F)(F)C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C16H24F4O/c1-11-2-8-14(9-3-11)21-16(19,20)13-6-4-12(5-7-13)10-15(17)18/h10-14H,2-9H2,1H3
InChIKeyDMHFUQVZBFEAQW-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.36
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane (CID 138493513) is 1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane is CC1CCC(OC(F)(F)C2CCC(C=C(F)F)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane?
The InChIKey is DMHFUQVZBFEAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F4O/c1-11-2-8-14(9-3-11)21-16(19,20)13-6-4-12(5-7-13)10-15(17)18/h10-14H,2-9H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane?
1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane has a molecular weight of 308.36 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane is sourced from PubChem (CID 138493513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).