7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene

C22H23F5 — CID 139861036

IUPAC7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene
SMILESCCc1ccc2cc(C(F)=C(F)C3CCC(CC)CC3)c(F)c(F)c2c1F
InChIInChI=1S/C22H23F5/c1-3-12-5-7-14(8-6-12)19(24)20(25)16-11-15-10-9-13(4-2)18(23)17(15)22(27)21(16)26/h9-12,14H,3-8H2,1-2H3
InChIKeyRWNWXWAHZRDIKM-UHFFFAOYSA-N
MW382.42 g/mol
LogP7.64
Rot. Bonds4

About 7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene

7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene (PubChem CID 139861036) has the molecular formula C22H23F5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene.

Molecular Properties

Compound Name7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene
PubChem CID139861036
Molecular FormulaC22H23F5
Molecular Weight382.42 g/mol
Exact Mass382.17
IUPAC Name7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene
SMILESCCc1ccc2cc(C(F)=C(F)C3CCC(CC)CC3)c(F)c(F)c2c1F
InChIInChI=1S/C22H23F5/c1-3-12-5-7-14(8-6-12)19(24)20(25)16-11-15-10-9-13(4-2)18(23)17(15)22(27)21(16)26/h9-12,14H,3-8H2,1-2H3
InChIKeyRWNWXWAHZRDIKM-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene?
The IUPAC name of 7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene (CID 139861036) is 7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene.
What is the SMILES notation for 7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene?
The canonical SMILES for 7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene is CCc1ccc2cc(C(F)=C(F)C3CCC(CC)CC3)c(F)c(F)c2c1F.
What is the InChIKey of 7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene?
The InChIKey is RWNWXWAHZRDIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F5/c1-3-12-5-7-14(8-6-12)19(24)20(25)16-11-15-10-9-13(4-2)18(23)17(15)22(27)21(16)26/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene?
7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene has a molecular weight of 382.42 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene is sourced from PubChem (CID 139861036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).