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

C22H24F4O — CID 134358646

IUPAC1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(C3CCC(CC)CC3)c(F)c2F)c(F)c1F
InChIInChI=1S/C22H24F4O/c1-3-13-5-7-14(8-6-13)15-9-10-16(20(24)19(15)23)17-11-12-18(27-4-2)22(26)21(17)25/h9-14H,3-8H2,1-2H3
InChIKeyLXAWNCYCXHFVKE-UHFFFAOYSA-N
MW380.43 g/mol
LogP6.99
Rot. Bonds5

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

1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene (PubChem CID 134358646) has the molecular formula C22H24F4O and a molecular weight of 380.43 g/mol. Its IUPAC name is 1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
PubChem CID134358646
Molecular FormulaC22H24F4O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(C3CCC(CC)CC3)c(F)c2F)c(F)c1F
InChIInChI=1S/C22H24F4O/c1-3-13-5-7-14(8-6-13)15-9-10-16(20(24)19(15)23)17-11-12-18(27-4-2)22(26)21(17)25/h9-14H,3-8H2,1-2H3
InChIKeyLXAWNCYCXHFVKE-UHFFFAOYSA-N
XLogP6.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.43
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]cyclohexyl]methoxy]-2,3-difluoro-N-methylaniline
CID 162009998
1-[4-[4-[2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethyl]cyclohexyl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 58453624
1-ethoxy-4-[4-[[4-(4-ethoxyphenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89430115
1-[4-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 88856303
1-[4-[4-[[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorophenyl]propan-1-ol
CID 88857111
1-[2,3-difluoro-4-[4-(3-fluoroprop-1-enyl)cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 123960892
2-[4-[4-[[4-(4-ethylcyclohexyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorophenyl]oxirane
CID 88963986
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-[4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]cyclohexyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol
CID 88893817
1-[2,3-difluoro-4-[4-(methoxymethylidene)cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 67434471
1-[2,3-difluoro-4-(4-octylcyclohexyl)phenyl]-2,3-difluoro-4-pentoxybenzene
CID 134358701
1-(4-butylcyclohexyl)-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene
CID 134358667

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene?
The IUPAC name of 1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene (CID 134358646) is 1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene?
The canonical SMILES for 1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene is CCOc1ccc(-c2ccc(C3CCC(CC)CC3)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene?
The InChIKey is LXAWNCYCXHFVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4O/c1-3-13-5-7-14(8-6-13)15-9-10-16(20(24)19(15)23)17-11-12-18(27-4-2)22(26)21(17)25/h9-14H,3-8H2,1-2H3.
What are the key properties of 1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene?
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene has a molecular weight of 380.43 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene is sourced from PubChem (CID 134358646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).