2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane

C22H26F6O2 — CID 123239104

IUPAC2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane
SMILESCCCC1CCC(C2COC(c3cc(F)c(C(F)=CC(F)(F)F)c(F)c3)OC2)CC1
InChIInChI=1S/C22H26F6O2/c1-2-3-13-4-6-14(7-5-13)16-11-29-21(30-12-16)15-8-17(23)20(18(24)9-15)19(25)10-22(26,27)28/h8-10,13-14,16,21H,2-7,11-12H2,1H3
InChIKeyBZGWEODWZGZGDM-UHFFFAOYSA-N
MW436.44 g/mol
LogP7.11
Rot. Bonds5

About 2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane

2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane (PubChem CID 123239104) has the molecular formula C22H26F6O2 and a molecular weight of 436.44 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane
PubChem CID123239104
Molecular FormulaC22H26F6O2
Molecular Weight436.44 g/mol
Exact Mass436.18
IUPAC Name2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane
SMILESCCCC1CCC(C2COC(c3cc(F)c(C(F)=CC(F)(F)F)c(F)c3)OC2)CC1
InChIInChI=1S/C22H26F6O2/c1-2-3-13-4-6-14(7-5-13)16-11-29-21(30-12-16)15-8-17(23)20(18(24)9-15)19(25)10-22(26,27)28/h8-10,13-14,16,21H,2-7,11-12H2,1H3
InChIKeyBZGWEODWZGZGDM-UHFFFAOYSA-N
XLogP7.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]cyclohexyl]-5-(4-pentylcyclohexyl)-1,3-dioxane
CID 123153909
2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane
CID 123726896
2-(3,4-difluorophenyl)-5-(4-heptylcyclohexyl)-1,3-dioxane
CID 19738712
2,6-difluoro-4-[5-(4-octylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile
CID 54568073
5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane
CID 123343356
2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 20656726
5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane
CID 70408940
[4-[5-(4-ethylcyclohexyl)-1,3-dioxan-2-yl]-2,6-difluorophenyl] 2,2,3,3,4,4,4-heptafluorobutanoate
CID 20615214
2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane
CID 21136668
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyloxan-2-yl)-1,3-dioxane
CID 59207574
1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
CID 123420497
2-[3-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]cyclohexyl]phenyl]-5-propyl-1,3-dioxane
CID 70797487

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane?
The IUPAC name of 2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane (CID 123239104) is 2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane.
What is the SMILES notation for 2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane?
The canonical SMILES for 2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane is CCCC1CCC(C2COC(c3cc(F)c(C(F)=CC(F)(F)F)c(F)c3)OC2)CC1.
What is the InChIKey of 2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane?
The InChIKey is BZGWEODWZGZGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F6O2/c1-2-3-13-4-6-14(7-5-13)16-11-29-21(30-12-16)15-8-17(23)20(18(24)9-15)19(25)10-22(26,27)28/h8-10,13-14,16,21H,2-7,11-12H2,1H3.
What are the key properties of 2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane?
2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane has a molecular weight of 436.44 g/mol, XLogP of 7.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane is sourced from PubChem (CID 123239104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).