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

C22H33FO — CID 18344033

IUPAC1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]benzene
SMILESCOCC1CCC(c2ccc(C3CCC(CCF)CC3)cc2)CC1
InChIInChI=1S/C22H33FO/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/h10-13,17-20H,2-9,14-16H2,1H3
InChIKeyHRRIBPVIJIPWOS-UHFFFAOYSA-N
MW332.50 g/mol
LogP6.24
Rot. Bonds6

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

1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]benzene (PubChem CID 18344033) has the molecular formula C22H33FO and a molecular weight of 332.50 g/mol. Its IUPAC name is 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]benzene
PubChem CID18344033
Molecular FormulaC22H33FO
Molecular Weight332.50 g/mol
Exact Mass332.25
IUPAC Name1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]benzene
SMILESCOCC1CCC(c2ccc(C3CCC(CCF)CC3)cc2)CC1
InChIInChI=1S/C22H33FO/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/h10-13,17-20H,2-9,14-16H2,1H3
InChIKeyHRRIBPVIJIPWOS-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.50
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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

Launch Full Analysis

Related Compounds

4-(4-Octylphenyl)cyclohexan-1-ol
CID 19863155
MeP2OcHPa
CID 14847948
3P2OcHPa
CID 14847950
4P3OcHPa
CID 14847958
MeP4OcHPa
CID 14847962
2P5OcHPa
CID 14847970
5PMeOcHPa
CID 14847994
FPMeOcHPa
CID 23391107
FP5OcHPa
CID 23391108
FP3OcHPa
CID 23391109
FP4OcHPa
CID 23391127
FP2OcHPa
CID 23391131

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]benzene?
The IUPAC name of 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]benzene (CID 18344033) is 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]benzene.
What is the SMILES notation for 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]benzene?
The canonical SMILES for 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]benzene is COCC1CCC(c2ccc(C3CCC(CCF)CC3)cc2)CC1.
What is the InChIKey of 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]benzene?
The InChIKey is HRRIBPVIJIPWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FO/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/h10-13,17-20H,2-9,14-16H2,1H3.
What are the key properties of 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]benzene?
1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]benzene has a molecular weight of 332.50 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]benzene is sourced from PubChem (CID 18344033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).