2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene

C28H25F3 — CID 68534524

IUPAC2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene
SMILESCCCC(c1cc(F)c(-c2ccc(C)cc2)c(F)c1)C(F)c1ccc2ccccc2c1
InChIInChI=1S/C28H25F3/c1-3-6-24(28(31)22-14-13-19-7-4-5-8-21(19)15-22)23-16-25(29)27(26(30)17-23)20-11-9-18(2)10-12-20/h4-5,7-17,24,28H,3,6H2,1-2H3
InChIKeyNDEJQBRYQCTYCX-UHFFFAOYSA-N
MW418.50 g/mol
LogP8.69
Rot. Bonds6

About 2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene

2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene (PubChem CID 68534524) has the molecular formula C28H25F3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene.

Molecular Properties

Compound Name2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene
PubChem CID68534524
Molecular FormulaC28H25F3
Molecular Weight418.50 g/mol
Exact Mass418.19
IUPAC Name2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene
SMILESCCCC(c1cc(F)c(-c2ccc(C)cc2)c(F)c1)C(F)c1ccc2ccccc2c1
InChIInChI=1S/C28H25F3/c1-3-6-24(28(31)22-14-13-19-7-4-5-8-21(19)15-22)23-16-25(29)27(26(30)17-23)20-11-9-18(2)10-12-20/h4-5,7-17,24,28H,3,6H2,1-2H3
InChIKeyNDEJQBRYQCTYCX-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene?
The IUPAC name of 2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene (CID 68534524) is 2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene.
What is the SMILES notation for 2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene?
The canonical SMILES for 2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene is CCCC(c1cc(F)c(-c2ccc(C)cc2)c(F)c1)C(F)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene?
The InChIKey is NDEJQBRYQCTYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3/c1-3-6-24(28(31)22-14-13-19-7-4-5-8-21(19)15-22)23-16-25(29)27(26(30)17-23)20-11-9-18(2)10-12-20/h4-5,7-17,24,28H,3,6H2,1-2H3.
What are the key properties of 2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene?
2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene has a molecular weight of 418.50 g/mol, XLogP of 8.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-difluoro-4-(4-methylphenyl)phenyl]-1-fluoropentyl]naphthalene is sourced from PubChem (CID 68534524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).