1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene

C22H25F3O — CID 58141163

IUPAC1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene
SMILESCCOCc1ccc(C2CCC(c3ccc(C)cc3F)CC2)c(F)c1F
InChIInChI=1S/C22H25F3O/c1-3-26-13-17-9-11-19(22(25)21(17)24)16-7-5-15(6-8-16)18-10-4-14(2)12-20(18)23/h4,9-12,15-16H,3,5-8,13H2,1-2H3
InChIKeyKGXWEFKBPLDKCX-UHFFFAOYSA-N
MW362.44 g/mol
LogP6.39
Rot. Bonds5

About 1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene

1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene (PubChem CID 58141163) has the molecular formula C22H25F3O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene
PubChem CID58141163
Molecular FormulaC22H25F3O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene
SMILESCCOCc1ccc(C2CCC(c3ccc(C)cc3F)CC2)c(F)c1F
InChIInChI=1S/C22H25F3O/c1-3-26-13-17-9-11-19(22(25)21(17)24)16-7-5-15(6-8-16)18-10-4-14(2)12-20(18)23/h4,9-12,15-16H,3,5-8,13H2,1-2H3
InChIKeyKGXWEFKBPLDKCX-UHFFFAOYSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 58141211
1-cyclopropyl-2-fluoro-4-methylbenzene;ethane
CID 144800459
2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohexyl]-4-heptoxybenzene
CID 58140715
2-fluoro-4-methyl-1-(4-methylcyclohexyl)benzene
CID 126578544
1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 70946168
1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene
CID 58141026
1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
CID 58141630
1-[4-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 70961295
1-[4-[[4-(ethoxymethyl)-2-fluorophenyl]methoxy]cyclohexyl]-2,3-difluoro-4-(4-methoxycyclohexyl)benzene
CID 70946173
1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
CID 58141585
1-[(2E,4Z)-5-ethenylocta-2,4-dien-2-yl]-2,3-difluoro-4-[[4-(2-fluoro-4-methylphenyl)cyclohexyl]oxymethyl]benzene
CID 88953312
2,3-difluoro-1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]cyclohexyl]-4-hexoxybenzene
CID 58141644

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene?
The IUPAC name of 1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene (CID 58141163) is 1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene.
What is the SMILES notation for 1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene?
The canonical SMILES for 1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene is CCOCc1ccc(C2CCC(c3ccc(C)cc3F)CC2)c(F)c1F.
What is the InChIKey of 1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene?
The InChIKey is KGXWEFKBPLDKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3O/c1-3-26-13-17-9-11-19(22(25)21(17)24)16-7-5-15(6-8-16)18-10-4-14(2)12-20(18)23/h4,9-12,15-16H,3,5-8,13H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene?
1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene has a molecular weight of 362.44 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene is sourced from PubChem (CID 58141163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).