1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene

C28H32F6O2 — CID 130261604

IUPAC1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene
SMILESCCOc1ccc(C2CCC(C3CCC(c4ccc(OCC)c(F)c4F)CC3(F)F)CC2)c(F)c1F
InChIInChI=1S/C28H32F6O2/c1-3-35-22-13-10-19(24(29)26(22)31)16-5-7-17(8-6-16)21-12-9-18(15-28(21,33)34)20-11-14-23(36-4-2)27(32)25(20)30/h10-11,13-14,16-18,21H,3-9,12,15H2,1-2H3
InChIKeyRYHAUTMVBXRLPR-UHFFFAOYSA-N
MW514.55 g/mol
LogP8.53
Rot. Bonds7

About 1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene

1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene (PubChem CID 130261604) has the molecular formula C28H32F6O2 and a molecular weight of 514.55 g/mol. Its IUPAC name is 1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene
PubChem CID130261604
Molecular FormulaC28H32F6O2
Molecular Weight514.55 g/mol
Exact Mass514.23
IUPAC Name1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene
SMILESCCOc1ccc(C2CCC(C3CCC(c4ccc(OCC)c(F)c4F)CC3(F)F)CC2)c(F)c1F
InChIInChI=1S/C28H32F6O2/c1-3-35-22-13-10-19(24(29)26(22)31)16-5-7-17(8-6-16)21-12-9-18(15-28(21,33)34)20-11-14-23(36-4-2)27(32)25(20)30/h10-11,13-14,16-18,21H,3-9,12,15H2,1-2H3
InChIKeyRYHAUTMVBXRLPR-UHFFFAOYSA-N
XLogP8.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.55
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene with MolForge

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Related Compounds

1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 130261244
1-ethoxy-4-[(4S)-4-(4-ethyl-4-methylcyclohexyl)-3,3-difluorocyclohexyl]-2,3-difluorobenzene
CID 129013900
2-ethoxy-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,2-difluorocyclohexyl]pyrimidine
CID 130261682
1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene
CID 59346093
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
4-[(1S,4R)-3,3-difluoro-4-(4-propylcyclohexyl)cyclohexyl]-1-ethoxy-2-fluorobenzene
CID 139604059
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 20621688
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]acetic acid
CID 130281438
1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol
CID 118967053
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
1-[2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 122484819

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene?
The IUPAC name of 1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene (CID 130261604) is 1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene?
The canonical SMILES for 1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene is CCOc1ccc(C2CCC(C3CCC(c4ccc(OCC)c(F)c4F)CC3(F)F)CC2)c(F)c1F.
What is the InChIKey of 1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene?
The InChIKey is RYHAUTMVBXRLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F6O2/c1-3-35-22-13-10-19(24(29)26(22)31)16-5-7-17(8-6-16)21-12-9-18(15-28(21,33)34)20-11-14-23(36-4-2)27(32)25(20)30/h10-11,13-14,16-18,21H,3-9,12,15H2,1-2H3.
What are the key properties of 1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene?
1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene has a molecular weight of 514.55 g/mol, XLogP of 8.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene is sourced from PubChem (CID 130261604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).