3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene

C23H25F5 — CID 139861492

IUPAC3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene
SMILESCCCc1ccc2cc(C(F)=C(F)C3CCC(CC)CC3)c(F)c(F)c2c1F
InChIInChI=1S/C23H25F5/c1-3-5-14-10-11-16-12-17(22(27)23(28)18(16)19(14)24)21(26)20(25)15-8-6-13(4-2)7-9-15/h10-13,15H,3-9H2,1-2H3
InChIKeyMGNCKOPDHUUSTP-UHFFFAOYSA-N
MW396.44 g/mol
LogP8.03
Rot. Bonds5

About 3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene

3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene (PubChem CID 139861492) has the molecular formula C23H25F5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene.

Molecular Properties

Compound Name3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene
PubChem CID139861492
Molecular FormulaC23H25F5
Molecular Weight396.44 g/mol
Exact Mass396.19
IUPAC Name3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene
SMILESCCCc1ccc2cc(C(F)=C(F)C3CCC(CC)CC3)c(F)c(F)c2c1F
InChIInChI=1S/C23H25F5/c1-3-5-14-10-11-16-12-17(22(27)23(28)18(16)19(14)24)21(26)20(25)15-8-6-13(4-2)7-9-15/h10-13,15H,3-9H2,1-2H3
InChIKeyMGNCKOPDHUUSTP-UHFFFAOYSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.44
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene?
The IUPAC name of 3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene (CID 139861492) is 3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene.
What is the SMILES notation for 3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene?
The canonical SMILES for 3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene is CCCc1ccc2cc(C(F)=C(F)C3CCC(CC)CC3)c(F)c(F)c2c1F.
What is the InChIKey of 3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene?
The InChIKey is MGNCKOPDHUUSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F5/c1-3-5-14-10-11-16-12-17(22(27)23(28)18(16)19(14)24)21(26)20(25)15-8-6-13(4-2)7-9-15/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene?
3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene has a molecular weight of 396.44 g/mol, XLogP of 8.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene is sourced from PubChem (CID 139861492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).