1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane

C22H38F2 — CID 18343974

IUPAC1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane
SMILESFCCC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1
InChIInChI=1S/C22H38F2/c23-15-13-17-1-5-19(6-2-17)21-9-11-22(12-10-21)20-7-3-18(4-8-20)14-16-24/h17-22H,1-16H2
InChIKeyVLNNXQWLFVBNBY-UHFFFAOYSA-N
MW340.54 g/mol
LogP7.12
Rot. Bonds6

About 1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane

1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane (PubChem CID 18343974) has the molecular formula C22H38F2 and a molecular weight of 340.54 g/mol. Its IUPAC name is 1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane
PubChem CID18343974
Molecular FormulaC22H38F2
Molecular Weight340.54 g/mol
Exact Mass340.29
IUPAC Name1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane
SMILESFCCC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1
InChIInChI=1S/C22H38F2/c23-15-13-17-1-5-19(6-2-17)21-9-11-22(12-10-21)20-7-3-18(4-8-20)14-16-24/h17-22H,1-16H2
InChIKeyVLNNXQWLFVBNBY-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.54
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(8-fluorooctyl)-4-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]cyclohexane
CID 54035410
1-ethyl-4-(2-fluoroethyl)cyclohexane
CID 18344113
2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane
CID 18344196
2-fluoroethylcyclodecane
CID 70177675
1,2-difluoro-4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]benzene
CID 67843257
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-octylcyclohexyl)cyclohexane
CID 54536291
1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane
CID 70489412
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-heptylcyclohexyl)cyclohexane
CID 54105459
1-ethoxy-4-(2-fluoroethyl)cyclohexane
CID 18344106
1-[4-(3-fluoropropyl)cyclohexyl]-4-[2-(4-hexylcyclohexyl)ethyl]cyclohexane
CID 19352474

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane (CID 18343974) is 1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane is FCCC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1.
What is the InChIKey of 1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The InChIKey is VLNNXQWLFVBNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38F2/c23-15-13-17-1-5-19(6-2-17)21-9-11-22(12-10-21)20-7-3-18(4-8-20)14-16-24/h17-22H,1-16H2.
What are the key properties of 1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane has a molecular weight of 340.54 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 18343974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).