1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene

C25H18ClF3 — CID 59264274

IUPAC1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene
SMILESCCCc1ccc(-c2ccc3c(Cl)c(-c4cc(F)c(F)c(F)c4)ccc3c2)cc1
InChIInChI=1S/C25H18ClF3/c1-2-3-15-4-6-16(7-5-15)17-8-10-20-18(12-17)9-11-21(24(20)26)19-13-22(27)25(29)23(28)14-19/h4-14H,2-3H2,1H3
InChIKeyXZYUMHIGLOXXRR-UHFFFAOYSA-N
MW410.87 g/mol
LogP8.20
Rot. Bonds4

About 1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene

1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene (PubChem CID 59264274) has the molecular formula C25H18ClF3 and a molecular weight of 410.87 g/mol. Its IUPAC name is 1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene.

Molecular Properties

Compound Name1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene
PubChem CID59264274
Molecular FormulaC25H18ClF3
Molecular Weight410.87 g/mol
Exact Mass410.10
IUPAC Name1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene
SMILESCCCc1ccc(-c2ccc3c(Cl)c(-c4cc(F)c(F)c(F)c4)ccc3c2)cc1
InChIInChI=1S/C25H18ClF3/c1-2-3-15-4-6-16(7-5-15)17-8-10-20-18(12-17)9-11-21(24(20)26)19-13-22(27)25(29)23(28)14-19/h4-14H,2-3H2,1H3
InChIKeyXZYUMHIGLOXXRR-UHFFFAOYSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.87
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene?
The IUPAC name of 1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene (CID 59264274) is 1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene.
What is the SMILES notation for 1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene?
The canonical SMILES for 1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene is CCCc1ccc(-c2ccc3c(Cl)c(-c4cc(F)c(F)c(F)c4)ccc3c2)cc1.
What is the InChIKey of 1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene?
The InChIKey is XZYUMHIGLOXXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3/c1-2-3-15-4-6-16(7-5-15)17-8-10-20-18(12-17)9-11-21(24(20)26)19-13-22(27)25(29)23(28)14-19/h4-14H,2-3H2,1H3.
What are the key properties of 1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene?
1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene has a molecular weight of 410.87 g/mol, XLogP of 8.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)naphthalene is sourced from PubChem (CID 59264274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).