2-butyl-4-fluoro-1-benzofuran

C12H13FO — CID 11240956

IUPAC2-butyl-4-fluoro-1-benzofuran
SMILESCCCCc1cc2c(F)cccc2o1
InChIInChI=1S/C12H13FO/c1-2-3-5-9-8-10-11(13)6-4-7-12(10)14-9/h4,6-8H,2-3,5H2,1H3
InChIKeyWFUIBVUGMUYRIC-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.91
Rot. Bonds3

About 2-butyl-4-fluoro-1-benzofuran

2-butyl-4-fluoro-1-benzofuran (PubChem CID 11240956) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-butyl-4-fluoro-1-benzofuran.

Molecular Properties

Compound Name2-butyl-4-fluoro-1-benzofuran
PubChem CID11240956
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name2-butyl-4-fluoro-1-benzofuran
SMILESCCCCc1cc2c(F)cccc2o1
InChIInChI=1S/C12H13FO/c1-2-3-5-9-8-10-11(13)6-4-7-12(10)14-9/h4,6-8H,2-3,5H2,1H3
InChIKeyWFUIBVUGMUYRIC-UHFFFAOYSA-N
XLogP3.91
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran
CID 117172256
7,16-dipentyl-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651498
3-(4-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 117119937
2-heptylchromene-4-thione
CID 154713564
4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117172297
2-decyl-1-benzofuran
CID 15365265
4-chloro-2-ethyl-1-benzofuran
CID 173058646
1-(4-fluoro-1-benzofuran-2-yl)ethanamine
CID 117119905
3-[(4-fluoro-1-benzofuran-2-yl)methoxy]pyridine
CID 117172370
7-hexyl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58410684
2-(4-bromo-1-benzofuran-2-yl)ethanamine
CID 117119914
4-fluoro-2-methylsulfonyl-1-benzofuran
CID 118288690

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-fluoro-1-benzofuran?
The IUPAC name of 2-butyl-4-fluoro-1-benzofuran (CID 11240956) is 2-butyl-4-fluoro-1-benzofuran.
What is the SMILES notation for 2-butyl-4-fluoro-1-benzofuran?
The canonical SMILES for 2-butyl-4-fluoro-1-benzofuran is CCCCc1cc2c(F)cccc2o1.
What is the InChIKey of 2-butyl-4-fluoro-1-benzofuran?
The InChIKey is WFUIBVUGMUYRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-2-3-5-9-8-10-11(13)6-4-7-12(10)14-9/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 2-butyl-4-fluoro-1-benzofuran?
2-butyl-4-fluoro-1-benzofuran has a molecular weight of 192.23 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-fluoro-1-benzofuran is sourced from PubChem (CID 11240956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).