(5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran

C24H27FO — CID 101378471

IUPAC(5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran
SMILESCCCC1=C(CCC)C(C)(c2ccc(F)cc2)O/C1=C\c1ccccc1
InChIInChI=1S/C24H27FO/c1-4-9-21-22(10-5-2)24(3,19-13-15-20(25)16-14-19)26-23(21)17-18-11-7-6-8-12-18/h6-8,11-17H,4-5,9-10H2,1-3H3/b23-17-
InChIKeyAZYFHEDPRWMSDW-QJOMJCCJSA-N
MW350.48 g/mol
LogP7.01
Rot. Bonds6

About (5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran

(5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran (PubChem CID 101378471) has the molecular formula C24H27FO and a molecular weight of 350.48 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran
PubChem CID101378471
Molecular FormulaC24H27FO
Molecular Weight350.48 g/mol
Exact Mass350.20
IUPAC Name(5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran
SMILESCCCC1=C(CCC)C(C)(c2ccc(F)cc2)O/C1=C\c1ccccc1
InChIInChI=1S/C24H27FO/c1-4-9-21-22(10-5-2)24(3,19-13-15-20(25)16-14-19)26-23(21)17-18-11-7-6-8-12-18/h6-8,11-17H,4-5,9-10H2,1-3H3/b23-17-
InChIKeyAZYFHEDPRWMSDW-QJOMJCCJSA-N
XLogP7.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.48
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran?
The IUPAC name of (5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran (CID 101378471) is (5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran.
What is the SMILES notation for (5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran?
The canonical SMILES for (5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran is CCCC1=C(CCC)C(C)(c2ccc(F)cc2)O/C1=C\c1ccccc1.
What is the InChIKey of (5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran?
The InChIKey is AZYFHEDPRWMSDW-QJOMJCCJSA-N. The full InChI is InChI=1S/C24H27FO/c1-4-9-21-22(10-5-2)24(3,19-13-15-20(25)16-14-19)26-23(21)17-18-11-7-6-8-12-18/h6-8,11-17H,4-5,9-10H2,1-3H3/b23-17-.
What are the key properties of (5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran?
(5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran has a molecular weight of 350.48 g/mol, XLogP of 7.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-(4-fluorophenyl)-2-methyl-3,4-dipropylfuran is sourced from PubChem (CID 101378471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).