butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran

C14H21FO — CID 143668070

IUPACbutane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran
SMILESCCCC.CCc1cc(F)c2c(c1)CCO2
InChIInChI=1S/C10H11FO.C4H10/c1-2-7-5-8-3-4-12-10(8)9(11)6-7;1-3-4-2/h5-6H,2-4H2,1H3;3-4H2,1-2H3
InChIKeyNOKJERNDZHDCPH-UHFFFAOYSA-N
MW224.32 g/mol
LogP4.13
Rot. Bonds2

About butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran

butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran (PubChem CID 143668070) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Namebutane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran
PubChem CID143668070
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Namebutane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran
SMILESCCCC.CCc1cc(F)c2c(c1)CCO2
InChIInChI=1S/C10H11FO.C4H10/c1-2-7-5-8-3-4-12-10(8)9(11)6-7;1-3-4-2/h5-6H,2-4H2,1H3;3-4H2,1-2H3
InChIKeyNOKJERNDZHDCPH-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,7-difluoro-2,3-dihydro-1-benzofuran
CID 2736964
5-ethyl-7-methoxy-2,3-dihydro-1-benzofuran
CID 170265985
ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran
CID 177214189
5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 10058395
6,8-difluoro-3,4-dihydro-2H-chromene
CID 69010256
5-(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2,5-dimethylhexan-2-ol
CID 143024611
3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol
CID 70846960
8-fluoro-6-propan-2-yl-3,4-dihydro-2H-chromene
CID 89290968
8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine
CID 89390104
methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate
CID 175766387
8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine
CID 71173446
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83880247

Frequently Asked Questions

What is the IUPAC name of butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran?
The IUPAC name of butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran (CID 143668070) is butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran?
The canonical SMILES for butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran is CCCC.CCc1cc(F)c2c(c1)CCO2.
What is the InChIKey of butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran?
The InChIKey is NOKJERNDZHDCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO.C4H10/c1-2-7-5-8-3-4-12-10(8)9(11)6-7;1-3-4-2/h5-6H,2-4H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran?
butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran has a molecular weight of 224.32 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 143668070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).