5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole

C18H20F4O2 — CID 139968718

IUPAC5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole
SMILESCCCC1CCC(/C(F)=C(\F)c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C18H20F4O2/c1-2-3-11-4-6-12(7-5-11)16(19)17(20)13-8-9-14-15(10-13)24-18(21,22)23-14/h8-12H,2-7H2,1H3/b17-16+
InChIKeyMNDIAMPTZKYUPD-WUKNDPDISA-N
MW344.35 g/mol
LogP6.22
Rot. Bonds4

About 5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole

5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole (PubChem CID 139968718) has the molecular formula C18H20F4O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole.

Molecular Properties

Compound Name5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole
PubChem CID139968718
Molecular FormulaC18H20F4O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC Name5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole
SMILESCCCC1CCC(/C(F)=C(\F)c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C18H20F4O2/c1-2-3-11-4-6-12(7-5-11)16(19)17(20)13-8-9-14-15(10-13)24-18(21,22)23-14/h8-12H,2-7H2,1H3/b17-16+
InChIKeyMNDIAMPTZKYUPD-WUKNDPDISA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.35
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole with MolForge

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Related Compounds

4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde
CID 139686999
1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene
CID 67590195
1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethynyl]benzene
CID 67589129
5-[2-(4-butylcyclohexyl)-1,1,2,2-tetrafluoroethyl]-2,2-difluoro-1,3-benzodioxole
CID 139968720
(3-aminocyclobutyl)-(2,2-difluoro-1,3-benzodioxol-5-yl)methanone
CID 116998293
[1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-trimethylsilane
CID 54125156
1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698946
2-amino-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylpropan-1-one
CID 116998271
6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene
CID 139861695
2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane
CID 59875976
2-(aminomethyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)butan-1-one
CID 116998327
N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)but-1-enyl]ethanimine
CID 123795631

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole?
The IUPAC name of 5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole (CID 139968718) is 5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole.
What is the SMILES notation for 5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole?
The canonical SMILES for 5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole is CCCC1CCC(/C(F)=C(\F)c2ccc3c(c2)OC(F)(F)O3)CC1.
What is the InChIKey of 5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole?
The InChIKey is MNDIAMPTZKYUPD-WUKNDPDISA-N. The full InChI is InChI=1S/C18H20F4O2/c1-2-3-11-4-6-12(7-5-11)16(19)17(20)13-8-9-14-15(10-13)24-18(21,22)23-14/h8-12H,2-7H2,1H3/b17-16+.
What are the key properties of 5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole?
5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole has a molecular weight of 344.35 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole is sourced from PubChem (CID 139968718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).