1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane

C16H29FO — CID 18344108

IUPAC1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
SMILESCCOC1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C16H29FO/c1-2-18-16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-12-17/h13-16H,2-12H2,1H3
InChIKeyRTGYOSYQURSGKR-UHFFFAOYSA-N
MW256.40 g/mol
LogP4.75
Rot. Bonds5

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

1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane (PubChem CID 18344108) has the molecular formula C16H29FO and a molecular weight of 256.40 g/mol. Its IUPAC name is 1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
PubChem CID18344108
Molecular FormulaC16H29FO
Molecular Weight256.40 g/mol
Exact Mass256.22
IUPAC Name1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
SMILESCCOC1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C16H29FO/c1-2-18-16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-12-17/h13-16H,2-12H2,1H3
InChIKeyRTGYOSYQURSGKR-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane (CID 18344108) is 1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane is CCOC1CCC(C2CCC(CCF)CC2)CC1.
What is the InChIKey of 1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The InChIKey is RTGYOSYQURSGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FO/c1-2-18-16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-12-17/h13-16H,2-12H2,1H3.
What are the key properties of 1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane has a molecular weight of 256.40 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 18344108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).