2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane

C16H26F2O — CID 20645957

IUPAC2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane
SMILESC=C(C)OC1CCC(C2CCC(C)CC2)C(F)C1F
InChIInChI=1S/C16H26F2O/c1-10(2)19-14-9-8-13(15(17)16(14)18)12-6-4-11(3)5-7-12/h11-16H,1,4-9H2,2-3H3
InChIKeyIEAHMKVYIJTRDJ-UHFFFAOYSA-N
MW272.38 g/mol
LogP4.82
Rot. Bonds3

About 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane

2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane (PubChem CID 20645957) has the molecular formula C16H26F2O and a molecular weight of 272.38 g/mol. Its IUPAC name is 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane.

Molecular Properties

Compound Name2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane
PubChem CID20645957
Molecular FormulaC16H26F2O
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane
SMILESC=C(C)OC1CCC(C2CCC(C)CC2)C(F)C1F
InChIInChI=1S/C16H26F2O/c1-10(2)19-14-9-8-13(15(17)16(14)18)12-6-4-11(3)5-7-12/h11-16H,1,4-9H2,2-3H3
InChIKeyIEAHMKVYIJTRDJ-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[4-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluorocyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 122549571
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160840388
1-ethoxy-2,3-difluoro-4-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 118592236
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-propoxycyclohexane
CID 118592218
bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate
CID 162010835
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene
CID 144922818
3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol
CID 134271036
[4-(2,3-difluoro-4-formyloxycyclohexyl)-2,6-difluorocyclohexyl] 2-methylprop-2-enoate;2-methylprop-1-ene
CID 143916973
1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
CID 143405112
2,3-difluoro-1-(methoxymethyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;molecular hydrogen;hydrate
CID 160630512
2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane
CID 145325236
1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane
CID 118191687

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane?
The IUPAC name of 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane (CID 20645957) is 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane.
What is the SMILES notation for 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane?
The canonical SMILES for 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane is C=C(C)OC1CCC(C2CCC(C)CC2)C(F)C1F.
What is the InChIKey of 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane?
The InChIKey is IEAHMKVYIJTRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2O/c1-10(2)19-14-9-8-13(15(17)16(14)18)12-6-4-11(3)5-7-12/h11-16H,1,4-9H2,2-3H3.
What are the key properties of 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane?
2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane has a molecular weight of 272.38 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane is sourced from PubChem (CID 20645957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).