6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene

C23H27F3 — CID 139861695

IUPAC6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene
SMILESCCCc1ccc2cc(C(F)=C(F)C3CCC(CC)CC3)ccc2c1F
InChIInChI=1S/C23H27F3/c1-3-5-16-10-11-18-14-19(12-13-20(18)21(16)24)23(26)22(25)17-8-6-15(4-2)7-9-17/h10-15,17H,3-9H2,1-2H3
InChIKeyANILUPSBFBUJOU-UHFFFAOYSA-N
MW360.46 g/mol
LogP7.76
Rot. Bonds5

About 6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene

6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene (PubChem CID 139861695) has the molecular formula C23H27F3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene.

Molecular Properties

Compound Name6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene
PubChem CID139861695
Molecular FormulaC23H27F3
Molecular Weight360.46 g/mol
Exact Mass360.21
IUPAC Name6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene
SMILESCCCc1ccc2cc(C(F)=C(F)C3CCC(CC)CC3)ccc2c1F
InChIInChI=1S/C23H27F3/c1-3-5-16-10-11-18-14-19(12-13-20(18)21(16)24)23(26)22(25)17-8-6-15(4-2)7-9-17/h10-15,17H,3-9H2,1-2H3
InChIKeyANILUPSBFBUJOU-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861492
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046
2-but-3-enyl-6-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1-fluoronaphthalene
CID 139860885
6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene
CID 139861143
6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139862753
6-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139877146
7-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-3-pentylnaphthalene
CID 139863655
7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene
CID 139861036
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861546
6-[2-(4-butylphenyl)ethynyl]-2-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene
CID 139876484
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene
CID 139863231

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene?
The IUPAC name of 6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene (CID 139861695) is 6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene.
What is the SMILES notation for 6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene?
The canonical SMILES for 6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene is CCCc1ccc2cc(C(F)=C(F)C3CCC(CC)CC3)ccc2c1F.
What is the InChIKey of 6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene?
The InChIKey is ANILUPSBFBUJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3/c1-3-5-16-10-11-18-14-19(12-13-20(18)21(16)24)23(26)22(25)17-8-6-15(4-2)7-9-17/h10-15,17H,3-9H2,1-2H3.
What are the key properties of 6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene?
6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene has a molecular weight of 360.46 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene is sourced from PubChem (CID 139861695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).