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

C22H39FO — CID 18344053

IUPAC1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
SMILESCOCC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1
InChIInChI=1S/C22H39FO/c1-24-16-18-4-8-20(9-5-18)22-12-10-21(11-13-22)19-6-2-17(3-7-19)14-15-23/h17-22H,2-16H2,1H3
InChIKeyJRYFMPMNSGMEDX-UHFFFAOYSA-N
MW338.55 g/mol
LogP6.41
Rot. Bonds6

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

1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane (PubChem CID 18344053) has the molecular formula C22H39FO and a molecular weight of 338.55 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
PubChem CID18344053
Molecular FormulaC22H39FO
Molecular Weight338.55 g/mol
Exact Mass338.30
IUPAC Name1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
SMILESCOCC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1
InChIInChI=1S/C22H39FO/c1-24-16-18-4-8-20(9-5-18)22-12-10-21(11-13-22)19-6-2-17(3-7-19)14-15-23/h17-22H,2-16H2,1H3
InChIKeyJRYFMPMNSGMEDX-UHFFFAOYSA-N
XLogP6.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.55
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane (CID 18344053) is 1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane is COCC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane?
The InChIKey is JRYFMPMNSGMEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39FO/c1-24-16-18-4-8-20(9-5-18)22-12-10-21(11-13-22)19-6-2-17(3-7-19)14-15-23/h17-22H,2-16H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane?
1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane has a molecular weight of 338.55 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 18344053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).