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

C25H19ClF2 — CID 59264282

IUPAC1-chloro-2-(3,5-difluorophenyl)-6-(4-propylphenyl)naphthalene
SMILESCCCc1ccc(-c2ccc3c(Cl)c(-c4cc(F)cc(F)c4)ccc3c2)cc1
InChIInChI=1S/C25H19ClF2/c1-2-3-16-4-6-17(7-5-16)18-8-10-23-19(12-18)9-11-24(25(23)26)20-13-21(27)15-22(28)14-20/h4-15H,2-3H2,1H3
InChIKeyAPTBVJAYMOBDSC-UHFFFAOYSA-N
MW392.88 g/mol
LogP8.06
Rot. Bonds4

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

1-chloro-2-(3,5-difluorophenyl)-6-(4-propylphenyl)naphthalene (PubChem CID 59264282) has the molecular formula C25H19ClF2 and a molecular weight of 392.88 g/mol. Its IUPAC name is 1-chloro-2-(3,5-difluorophenyl)-6-(4-propylphenyl)naphthalene.

Molecular Properties

Compound Name1-chloro-2-(3,5-difluorophenyl)-6-(4-propylphenyl)naphthalene
PubChem CID59264282
Molecular FormulaC25H19ClF2
Molecular Weight392.88 g/mol
Exact Mass392.11
IUPAC Name1-chloro-2-(3,5-difluorophenyl)-6-(4-propylphenyl)naphthalene
SMILESCCCc1ccc(-c2ccc3c(Cl)c(-c4cc(F)cc(F)c4)ccc3c2)cc1
InChIInChI=1S/C25H19ClF2/c1-2-3-16-4-6-17(7-5-16)18-8-10-23-19(12-18)9-11-24(25(23)26)20-13-21(27)15-22(28)14-20/h4-15H,2-3H2,1H3
InChIKeyAPTBVJAYMOBDSC-UHFFFAOYSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.88
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3,5-difluorophenyl)-6-(4-propylphenyl)naphthalene?
The IUPAC name of 1-chloro-2-(3,5-difluorophenyl)-6-(4-propylphenyl)naphthalene (CID 59264282) is 1-chloro-2-(3,5-difluorophenyl)-6-(4-propylphenyl)naphthalene.
What is the SMILES notation for 1-chloro-2-(3,5-difluorophenyl)-6-(4-propylphenyl)naphthalene?
The canonical SMILES for 1-chloro-2-(3,5-difluorophenyl)-6-(4-propylphenyl)naphthalene is CCCc1ccc(-c2ccc3c(Cl)c(-c4cc(F)cc(F)c4)ccc3c2)cc1.
What is the InChIKey of 1-chloro-2-(3,5-difluorophenyl)-6-(4-propylphenyl)naphthalene?
The InChIKey is APTBVJAYMOBDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF2/c1-2-3-16-4-6-17(7-5-16)18-8-10-23-19(12-18)9-11-24(25(23)26)20-13-21(27)15-22(28)14-20/h4-15H,2-3H2,1H3.
What are the key properties of 1-chloro-2-(3,5-difluorophenyl)-6-(4-propylphenyl)naphthalene?
1-chloro-2-(3,5-difluorophenyl)-6-(4-propylphenyl)naphthalene has a molecular weight of 392.88 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3,5-difluorophenyl)-6-(4-propylphenyl)naphthalene is sourced from PubChem (CID 59264282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).