1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene

C24H25F3 — CID 139864133

IUPAC1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene
SMILESCCCCCc1ccc(-c2cc3ccc(CCC)c(F)c3c(F)c2F)cc1
InChIInChI=1S/C24H25F3/c1-3-5-6-8-16-9-11-17(12-10-16)20-15-19-14-13-18(7-4-2)22(25)21(19)24(27)23(20)26/h9-15H,3-8H2,1-2H3
InChIKeyCDAMERPKWNJTBA-UHFFFAOYSA-N
MW370.46 g/mol
LogP7.61
Rot. Bonds7

About 1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene

1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene (PubChem CID 139864133) has the molecular formula C24H25F3 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene.

Molecular Properties

Compound Name1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene
PubChem CID139864133
Molecular FormulaC24H25F3
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene
SMILESCCCCCc1ccc(-c2cc3ccc(CCC)c(F)c3c(F)c2F)cc1
InChIInChI=1S/C24H25F3/c1-3-5-6-8-16-9-11-17(12-10-16)20-15-19-14-13-18(7-4-2)22(25)21(19)24(27)23(20)26/h9-15H,3-8H2,1-2H3
InChIKeyCDAMERPKWNJTBA-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,8-trifluoro-7-pentyl-3-(4-propylphenyl)naphthalene
CID 139861938
2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 22960039
1,2,8-trifluoro-3-[4-(4-pentylcyclohexyl)phenyl]-7-propylnaphthalene
CID 139860768
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861073
7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene
CID 139861232
1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-pentylnaphthalene
CID 139861400
1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene
CID 139863615
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
3-(4-but-2-enoxyphenyl)-1,2,8-trifluoro-7-pentylnaphthalene
CID 139861598
3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139862117
2,3-difluoro-1,4-bis(4-pentylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 91519277

Frequently Asked Questions

What is the IUPAC name of 1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene?
The IUPAC name of 1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene (CID 139864133) is 1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene.
What is the SMILES notation for 1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene?
The canonical SMILES for 1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene is CCCCCc1ccc(-c2cc3ccc(CCC)c(F)c3c(F)c2F)cc1.
What is the InChIKey of 1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene?
The InChIKey is CDAMERPKWNJTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3/c1-3-5-6-8-16-9-11-17(12-10-16)20-15-19-14-13-18(7-4-2)22(25)21(19)24(27)23(20)26/h9-15H,3-8H2,1-2H3.
What are the key properties of 1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene?
1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene has a molecular weight of 370.46 g/mol, XLogP of 7.61, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene is sourced from PubChem (CID 139864133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).