2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan

C24H18F4O — CID 71663561

IUPAC2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan
SMILESCCCCc1ccc(-c2c(F)c(F)c(-c3ccc4ccccc4c3)c(F)c2F)o1
InChIInChI=1S/C24H18F4O/c1-2-3-8-17-11-12-18(29-17)20-23(27)21(25)19(22(26)24(20)28)16-10-9-14-6-4-5-7-15(14)13-16/h4-7,9-13H,2-3,8H2,1H3
InChIKeyNXWBFFJRHRCREG-UHFFFAOYSA-N
MW398.40 g/mol
LogP7.67
Rot. Bonds5

About 2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan

2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan (PubChem CID 71663561) has the molecular formula C24H18F4O and a molecular weight of 398.40 g/mol. Its IUPAC name is 2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan.

Molecular Properties

Compound Name2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan
PubChem CID71663561
Molecular FormulaC24H18F4O
Molecular Weight398.40 g/mol
Exact Mass398.13
IUPAC Name2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan
SMILESCCCCc1ccc(-c2c(F)c(F)c(-c3ccc4ccccc4c3)c(F)c2F)o1
InChIInChI=1S/C24H18F4O/c1-2-3-8-17-11-12-18(29-17)20-23(27)21(25)19(22(26)24(20)28)16-10-9-14-6-4-5-7-15(14)13-16/h4-7,9-13H,2-3,8H2,1H3
InChIKeyNXWBFFJRHRCREG-UHFFFAOYSA-N
XLogP7.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.40
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan?
The IUPAC name of 2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan (CID 71663561) is 2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan.
What is the SMILES notation for 2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan?
The canonical SMILES for 2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan is CCCCc1ccc(-c2c(F)c(F)c(-c3ccc4ccccc4c3)c(F)c2F)o1.
What is the InChIKey of 2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan?
The InChIKey is NXWBFFJRHRCREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4O/c1-2-3-8-17-11-12-18(29-17)20-23(27)21(25)19(22(26)24(20)28)16-10-9-14-6-4-5-7-15(14)13-16/h4-7,9-13H,2-3,8H2,1H3.
What are the key properties of 2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan?
2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan has a molecular weight of 398.40 g/mol, XLogP of 7.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(2,3,5,6-tetrafluoro-4-naphthalen-2-ylphenyl)furan is sourced from PubChem (CID 71663561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).