1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene

C22H25F3O — CID 58141026

IUPAC1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene
SMILESCCc1ccc(C2CCC(COc3ccc(C)cc3F)CC2)c(F)c1F
InChIInChI=1S/C22H25F3O/c1-3-16-9-10-18(22(25)21(16)24)17-7-5-15(6-8-17)13-26-20-11-4-14(2)12-19(20)23/h4,9-12,15,17H,3,5-8,13H2,1-2H3
InChIKeyHVQSFQWSTUNFER-UHFFFAOYSA-N
MW362.44 g/mol
LogP6.33
Rot. Bonds5

About 1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene

1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene (PubChem CID 58141026) has the molecular formula C22H25F3O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene
PubChem CID58141026
Molecular FormulaC22H25F3O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene
SMILESCCc1ccc(C2CCC(COc3ccc(C)cc3F)CC2)c(F)c1F
InChIInChI=1S/C22H25F3O/c1-3-16-9-10-18(22(25)21(16)24)17-7-5-15(6-8-17)13-26-20-11-4-14(2)12-19(20)23/h4,9-12,15,17H,3,5-8,13H2,1-2H3
InChIKeyHVQSFQWSTUNFER-UHFFFAOYSA-N
XLogP6.33
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 ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene
CID 58141128
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
1-butyl-4-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-2,3-difluorobenzene
CID 58141449
1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene
CID 58141163
1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene
CID 58141457
1-ethoxy-4-[4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexylidene]cyclohexyl]-2,3-difluorobenzene
CID 126501946
2,3-difluoro-1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]cyclohexyl]-4-hexoxybenzene
CID 58141644
5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane
CID 58141301
2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohexyl]-4-heptoxybenzene
CID 58140715
1-(4-ethoxycyclohexyl)-2,3-difluoro-4-[[4-(3-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]methoxy]benzene
CID 89429785
2-[4-[4-[[4-(4-ethylcyclohexyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorophenyl]oxirane
CID 88963986
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene?
The IUPAC name of 1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene (CID 58141026) is 1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene.
What is the SMILES notation for 1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene?
The canonical SMILES for 1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene is CCc1ccc(C2CCC(COc3ccc(C)cc3F)CC2)c(F)c1F.
What is the InChIKey of 1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene?
The InChIKey is HVQSFQWSTUNFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3O/c1-3-16-9-10-18(22(25)21(16)24)17-7-5-15(6-8-17)13-26-20-11-4-14(2)12-19(20)23/h4,9-12,15,17H,3,5-8,13H2,1-2H3.
What are the key properties of 1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene?
1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene has a molecular weight of 362.44 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene is sourced from PubChem (CID 58141026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).