2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexane

C16H26F2O — CID 20645952

IUPAC2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexane
SMILESC=CCOC1CCC(C2CCC(C)CC2)C(F)C1F
InChIInChI=1S/C16H26F2O/c1-3-10-19-14-9-8-13(15(17)16(14)18)12-6-4-11(2)5-7-12/h3,11-16H,1,4-10H2,2H3
InChIKeyRRELIGQKLBBMMD-UHFFFAOYSA-N
MW272.38 g/mol
LogP4.47
Rot. Bonds4

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

2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexane (PubChem CID 20645952) 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-2-enoxycyclohexane.

Molecular Properties

Compound Name2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexane
PubChem CID20645952
Molecular FormulaC16H26F2O
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexane
SMILESC=CCOC1CCC(C2CCC(C)CC2)C(F)C1F
InChIInChI=1S/C16H26F2O/c1-3-10-19-14-9-8-13(15(17)16(14)18)12-6-4-11(2)5-7-12/h3,11-16H,1,4-10H2,2H3
InChIKeyRRELIGQKLBBMMD-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-Difluoroethenyl)-5-[4-[2-(4-prop-2-enylcyclohexyl)ethyl]cyclohexyl]oxane
CID 20599924
2,3-Difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane
CID 20645957
1-(4-Ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane
CID 20645959
1-But-3-enyl-4-[4-(2-fluoroethoxy)cyclohexyl]cyclohexane
CID 22375187
1-(3-Fluoropropyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
CID 54120049
1-But-3-enoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 59348905
2,3-Difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enoxycyclohexane
CID 59348911
1,1-Difluoro-2-methyl-5-[4-[4-(3-prop-2-enoxypropyl)cyclohexyl]butoxy]cyclohexane
CID 59499054
1-(4-But-3-enylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane
CID 68400126
1-[4-(4-Ethenylheptyl)cyclohexyl]-2,3-difluoro-4-methoxycyclohexane
CID 70653673
1-Ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane
CID 71187754
1-Cyclohexyl-2,3-difluoro-4-prop-1-en-2-yloxycyclohexane
CID 89022659

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexane?
The IUPAC name of 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexane (CID 20645952) is 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexane.
What is the SMILES notation for 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexane?
The canonical SMILES for 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexane is C=CCOC1CCC(C2CCC(C)CC2)C(F)C1F.
What is the InChIKey of 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexane?
The InChIKey is RRELIGQKLBBMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2O/c1-3-10-19-14-9-8-13(15(17)16(14)18)12-6-4-11(2)5-7-12/h3,11-16H,1,4-10H2,2H3.
What are the key properties of 2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexane?
2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-2-enoxycyclohexane has a molecular weight of 272.38 g/mol, XLogP of 4.47, 4 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-2-enoxycyclohexane is sourced from PubChem (CID 20645952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).