2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene

C21H22F4O — CID 18720941

IUPAC2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene
SMILESCOCC1CCC(c2cc(F)c(-c3cc(F)c(C)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C21H22F4O/c1-12-17(22)9-16(10-18(12)23)21-19(24)7-15(8-20(21)25)14-5-3-13(4-6-14)11-26-2/h7-10,13-14H,3-6,11H2,1-2H3
InChIKeyPYTHWNNVPXUZCX-UHFFFAOYSA-N
MW366.40 g/mol
LogP6.14
Rot. Bonds4

About 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene

2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene (PubChem CID 18720941) has the molecular formula C21H22F4O and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene
PubChem CID18720941
Molecular FormulaC21H22F4O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene
SMILESCOCC1CCC(c2cc(F)c(-c3cc(F)c(C)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C21H22F4O/c1-12-17(22)9-16(10-18(12)23)21-19(24)7-15(8-20(21)25)14-5-3-13(4-6-14)11-26-2/h7-10,13-14H,3-6,11H2,1-2H3
InChIKeyPYTHWNNVPXUZCX-UHFFFAOYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene?
The IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene (CID 18720941) is 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene.
What is the SMILES notation for 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene?
The canonical SMILES for 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene is COCC1CCC(c2cc(F)c(-c3cc(F)c(C)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene?
The InChIKey is PYTHWNNVPXUZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4O/c1-12-17(22)9-16(10-18(12)23)21-19(24)7-15(8-20(21)25)14-5-3-13(4-6-14)11-26-2/h7-10,13-14H,3-6,11H2,1-2H3.
What are the key properties of 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene?
2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene has a molecular weight of 366.40 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene is sourced from PubChem (CID 18720941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).