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

C27H29F3 — CID 139862117

IUPAC3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene
SMILESCCCc1ccc2cc(-c3ccc(C4CCC(CC)CC4)cc3)c(F)c(F)c2c1F
InChIInChI=1S/C27H29F3/c1-3-5-21-14-15-22-16-23(26(29)27(30)24(22)25(21)28)20-12-10-19(11-13-20)18-8-6-17(4-2)7-9-18/h10-18H,3-9H2,1-2H3
InChIKeyZTHFHSXXBOPKCG-UHFFFAOYSA-N
MW410.52 g/mol
LogP8.56
Rot. Bonds5

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

3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene (PubChem CID 139862117) has the molecular formula C27H29F3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene.

Molecular Properties

Compound Name3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene
PubChem CID139862117
Molecular FormulaC27H29F3
Molecular Weight410.52 g/mol
Exact Mass410.22
IUPAC Name3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene
SMILESCCCc1ccc2cc(-c3ccc(C4CCC(CC)CC4)cc3)c(F)c(F)c2c1F
InChIInChI=1S/C27H29F3/c1-3-5-21-14-15-22-16-23(26(29)27(30)24(22)25(21)28)20-12-10-19(11-13-20)18-8-6-17(4-2)7-9-18/h10-18H,3-9H2,1-2H3
InChIKeyZTHFHSXXBOPKCG-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,8-trifluoro-3-[4-(4-pentylcyclohexyl)phenyl]-7-propylnaphthalene
CID 139860768
3-[4-(4-ethenylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139863852
3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene
CID 139861965
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046
3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861073
1,2,8-trifluoro-7-pentyl-3-(4-propylphenyl)naphthalene
CID 139861938
1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene
CID 139864133
6-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139877146
1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene
CID 139863615
3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-[(E)-pent-3-enyl]naphthalene
CID 139861346
7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene
CID 139862781
3-[4-(4-butylcyclohexyl)phenyl]-7-ethoxy-1,2,8-trifluoronaphthalene
CID 101366813

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene?
The IUPAC name of 3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene (CID 139862117) is 3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene.
What is the SMILES notation for 3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene?
The canonical SMILES for 3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene is CCCc1ccc2cc(-c3ccc(C4CCC(CC)CC4)cc3)c(F)c(F)c2c1F.
What is the InChIKey of 3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene?
The InChIKey is ZTHFHSXXBOPKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3/c1-3-5-21-14-15-22-16-23(26(29)27(30)24(22)25(21)28)20-12-10-19(11-13-20)18-8-6-17(4-2)7-9-18/h10-18H,3-9H2,1-2H3.
What are the key properties of 3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene?
3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene has a molecular weight of 410.52 g/mol, XLogP of 8.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene is sourced from PubChem (CID 139862117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).