1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene

C22H25F3O — CID 58141630

IUPAC1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
SMILESCCc1ccc(C2CCC(OCc3ccc(C)c(F)c3F)CC2)c(F)c1
InChIInChI=1S/C22H25F3O/c1-3-15-5-11-19(20(23)12-15)16-7-9-18(10-8-16)26-13-17-6-4-14(2)21(24)22(17)25/h4-6,11-12,16,18H,3,7-10,13H2,1-2H3
InChIKeyFOHCKRFELWNSKJ-UHFFFAOYSA-N
MW362.44 g/mol
LogP6.22
Rot. Bonds5

About 1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene

1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene (PubChem CID 58141630) has the molecular formula C22H25F3O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
PubChem CID58141630
Molecular FormulaC22H25F3O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
SMILESCCc1ccc(C2CCC(OCc3ccc(C)c(F)c3F)CC2)c(F)c1
InChIInChI=1S/C22H25F3O/c1-3-15-5-11-19(20(23)12-15)16-7-9-18(10-8-16)26-13-17-6-4-14(2)21(24)22(17)25/h4-6,11-12,16,18H,3,7-10,13H2,1-2H3
InChIKeyFOHCKRFELWNSKJ-UHFFFAOYSA-N
XLogP6.22
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 ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
CID 58141585
1-[4-[[4-(ethoxymethyl)-2-fluorophenyl]methoxy]cyclohexyl]-2,3-difluoro-4-(4-methoxycyclohexyl)benzene
CID 70946173
1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene
CID 58141163
1-ethoxy-2,3-difluoro-4-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]benzene
CID 58141290
2,3-difluoro-1-[[4-(3-fluoro-4-pentoxyphenyl)cyclohexyl]oxymethyl]-4-methylbenzene
CID 58140629
1-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluoro-4-methylbenzene
CID 58140691
4-(4-ethyl-2-fluorophenyl)oxane
CID 149055517
1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 58141211
2-[4-[4-[[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]methoxy]cyclohexyl]-2-fluorophenyl]oxirane
CID 89124595
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-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane
CID 88589807
1-(4-butoxycyclohexyl)-4-[4-[(4-butoxy-2-fluorophenyl)methoxy]cyclohexyl]-2,3-difluorobenzene
CID 89430216

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene (CID 58141630) is 1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene is CCc1ccc(C2CCC(OCc3ccc(C)c(F)c3F)CC2)c(F)c1.
What is the InChIKey of 1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is FOHCKRFELWNSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3O/c1-3-15-5-11-19(20(23)12-15)16-7-9-18(10-8-16)26-13-17-6-4-14(2)21(24)22(17)25/h4-6,11-12,16,18H,3,7-10,13H2,1-2H3.
What are the key properties of 1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene?
1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene has a molecular weight of 362.44 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 58141630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).