2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene

C24H21F3 — CID 130231480

IUPAC2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene
SMILESCCCc1ccc(-c2cc3ccc4c(c3c(F)c2F)C(F)C(CC)=C4)cc1
InChIInChI=1S/C24H21F3/c1-3-5-14-6-8-16(9-7-14)19-13-18-11-10-17-12-15(4-2)22(25)20(17)21(18)24(27)23(19)26/h6-13,22H,3-5H2,1-2H3
InChIKeyUEYSHQKOSOAXMY-UHFFFAOYSA-N
MW366.43 g/mol
LogP7.56
Rot. Bonds4

About 2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene

2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene (PubChem CID 130231480) has the molecular formula C24H21F3 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene
PubChem CID130231480
Molecular FormulaC24H21F3
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene
SMILESCCCc1ccc(-c2cc3ccc4c(c3c(F)c2F)C(F)C(CC)=C4)cc1
InChIInChI=1S/C24H21F3/c1-3-5-14-6-8-16(9-7-14)19-13-18-11-10-17-12-15(4-2)22(25)20(17)21(18)24(27)23(19)26/h6-13,22H,3-5H2,1-2H3
InChIKeyUEYSHQKOSOAXMY-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.43
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene
CID 139863141
1,2,8-trifluoro-7-pentyl-3-(4-propylphenyl)naphthalene
CID 139861938
1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene
CID 139864133
1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene
CID 54541075
1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene
CID 59227729
9,10-difluoro-3-pentyl-8-(4-propylphenyl)-3,4-dihydro-2H-benzo[h]chromene
CID 59227707
3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861073
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858881
1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene
CID 139863615
7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene
CID 139861232
7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene
CID 139862731

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene?
The IUPAC name of 2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene (CID 130231480) is 2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene.
What is the SMILES notation for 2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene?
The canonical SMILES for 2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene is CCCc1ccc(-c2cc3ccc4c(c3c(F)c2F)C(F)C(CC)=C4)cc1.
What is the InChIKey of 2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene?
The InChIKey is UEYSHQKOSOAXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3/c1-3-5-14-6-8-16(9-7-14)19-13-18-11-10-17-12-15(4-2)22(25)20(17)21(18)24(27)23(19)26/h6-13,22H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene?
2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene has a molecular weight of 366.43 g/mol, XLogP of 7.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene is sourced from PubChem (CID 130231480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).