6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene

C22H25F3 — CID 139862753

IUPAC6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
SMILESCCc1ccc2c(F)c(C(F)=C(F)C3CCC(CC)CC3)ccc2c1
InChIInChI=1S/C22H25F3/c1-3-14-5-8-16(9-6-14)20(23)22(25)19-12-10-17-13-15(4-2)7-11-18(17)21(19)24/h7,10-14,16H,3-6,8-9H2,1-2H3
InChIKeyNHECBVMZAJDZSJ-UHFFFAOYSA-N
MW346.44 g/mol
LogP7.37
Rot. Bonds4

About 6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene

6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene (PubChem CID 139862753) has the molecular formula C22H25F3 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
PubChem CID139862753
Molecular FormulaC22H25F3
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
SMILESCCc1ccc2c(F)c(C(F)=C(F)C3CCC(CC)CC3)ccc2c1
InChIInChI=1S/C22H25F3/c1-3-14-5-8-16(9-6-14)20(23)22(25)19-12-10-17-13-15(4-2)7-11-18(17)21(19)24/h7,10-14,16H,3-6,8-9H2,1-2H3
InChIKeyNHECBVMZAJDZSJ-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.44
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene?
The IUPAC name of 6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene (CID 139862753) is 6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene.
What is the SMILES notation for 6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene?
The canonical SMILES for 6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene is CCc1ccc2c(F)c(C(F)=C(F)C3CCC(CC)CC3)ccc2c1.
What is the InChIKey of 6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene?
The InChIKey is NHECBVMZAJDZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3/c1-3-14-5-8-16(9-6-14)20(23)22(25)19-12-10-17-13-15(4-2)7-11-18(17)21(19)24/h7,10-14,16H,3-6,8-9H2,1-2H3.
What are the key properties of 6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene?
6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene has a molecular weight of 346.44 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene is sourced from PubChem (CID 139862753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).