1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane

C20H35FO — CID 54314103

IUPAC1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(COC=CF)CC2)CC1
InChIInChI=1S/C20H35FO/c1-2-3-4-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-22-15-14-21/h14-15,17-20H,2-13,16H2,1H3
InChIKeySMYCZOSADUDWAZ-UHFFFAOYSA-N
MW310.50 g/mol
LogP6.64
Rot. Bonds8

About 1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane

1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane (PubChem CID 54314103) has the molecular formula C20H35FO and a molecular weight of 310.50 g/mol. Its IUPAC name is 1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane
PubChem CID54314103
Molecular FormulaC20H35FO
Molecular Weight310.50 g/mol
Exact Mass310.27
IUPAC Name1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(COC=CF)CC2)CC1
InChIInChI=1S/C20H35FO/c1-2-3-4-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-22-15-14-21/h14-15,17-20H,2-13,16H2,1H3
InChIKeySMYCZOSADUDWAZ-UHFFFAOYSA-N
XLogP6.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.50
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-heptyl-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19850398
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 20810937
1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 18533814
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886323
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-octylcyclohexyl)cyclohexane
CID 54536291
hexane;pentylcyclopropane
CID 159592467
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-heptylcyclohexyl)cyclohexane
CID 54105459

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane?
The IUPAC name of 1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane (CID 54314103) is 1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane is CCCCCC1CCC(C2CCC(COC=CF)CC2)CC1.
What is the InChIKey of 1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane?
The InChIKey is SMYCZOSADUDWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35FO/c1-2-3-4-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-22-15-14-21/h14-15,17-20H,2-13,16H2,1H3.
What are the key properties of 1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane?
1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane has a molecular weight of 310.50 g/mol, XLogP of 6.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane is sourced from PubChem (CID 54314103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).