4-butyl-3-fluoro-1H-isochromene

C13H15FO — CID 11310262

IUPAC4-butyl-3-fluoro-1H-isochromene
SMILESCCCCC1=C(F)OCc2ccccc21
InChIInChI=1S/C13H15FO/c1-2-3-7-12-11-8-5-4-6-10(11)9-15-13(12)14/h4-6,8H,2-3,7,9H2,1H3
InChIKeyAQFOGAKTUUAMBF-UHFFFAOYSA-N
MW206.26 g/mol
LogP4.05
Rot. Bonds3

About 4-butyl-3-fluoro-1H-isochromene

4-butyl-3-fluoro-1H-isochromene (PubChem CID 11310262) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 4-butyl-3-fluoro-1H-isochromene.

Molecular Properties

Compound Name4-butyl-3-fluoro-1H-isochromene
PubChem CID11310262
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name4-butyl-3-fluoro-1H-isochromene
SMILESCCCCC1=C(F)OCc2ccccc21
InChIInChI=1S/C13H15FO/c1-2-3-7-12-11-8-5-4-6-10(11)9-15-13(12)14/h4-6,8H,2-3,7,9H2,1H3
InChIKeyAQFOGAKTUUAMBF-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-butyl-3-fluoro-1H-isochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl ethyl ether
CID 10873
Benzyl methyl ether
CID 10869
Benzyl octyl ether
CID 347508
1,3-Dihydroisobenzofuran
CID 10327
2-Methyl-2-phenyloxirane
CID 16398
Isochromane
CID 96266
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
2H-Pyran, tetrahydro-4-methylene-2-phenyl-
CID 108444
1-Naphthylmethyl methyl ether
CID 22195
Benzene, 1,1'-(methoxymethylene)bis-
CID 219159
((Ethenyloxy)methyl)benzene
CID 11116115
Methyl cumyl ether
CID 70289

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-fluoro-1H-isochromene?
The IUPAC name of 4-butyl-3-fluoro-1H-isochromene (CID 11310262) is 4-butyl-3-fluoro-1H-isochromene.
What is the SMILES notation for 4-butyl-3-fluoro-1H-isochromene?
The canonical SMILES for 4-butyl-3-fluoro-1H-isochromene is CCCCC1=C(F)OCc2ccccc21.
What is the InChIKey of 4-butyl-3-fluoro-1H-isochromene?
The InChIKey is AQFOGAKTUUAMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-2-3-7-12-11-8-5-4-6-10(11)9-15-13(12)14/h4-6,8H,2-3,7,9H2,1H3.
What are the key properties of 4-butyl-3-fluoro-1H-isochromene?
4-butyl-3-fluoro-1H-isochromene has a molecular weight of 206.26 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-fluoro-1H-isochromene is sourced from PubChem (CID 11310262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).