ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran

C11H15FO — CID 177214189

IUPACethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran
SMILESCC.Cc1cc(F)c2c(c1)CCO2
InChIInChI=1S/C9H9FO.C2H6/c1-6-4-7-2-3-11-9(7)8(10)5-6;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyMZUCSKVEVRRQQM-UHFFFAOYSA-N
MW182.24 g/mol
LogP3.10
Rot. Bonds

About ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran

ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran (PubChem CID 177214189) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Nameethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran
PubChem CID177214189
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Nameethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran
SMILESCC.Cc1cc(F)c2c(c1)CCO2
InChIInChI=1S/C9H9FO.C2H6/c1-6-4-7-2-3-11-9(7)8(10)5-6;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyMZUCSKVEVRRQQM-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,7-difluoro-2,3-dihydro-1-benzofuran
CID 2736964
8-fluoro-6-methyl-2,3-dihydrochromen-4-one
CID 55297608
butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran
CID 143668070
5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane
CID 142100880
6,8-difluoro-3,4-dihydro-2H-chromene
CID 69010256
methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate
CID 175766387
5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran
CID 23543547
(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 130617223
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
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol
CID 104543145
methyl-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)phosphane
CID 143317684

Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran (CID 177214189) is ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran is CC.Cc1cc(F)c2c(c1)CCO2.
What is the InChIKey of ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is MZUCSKVEVRRQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO.C2H6/c1-6-4-7-2-3-11-9(7)8(10)5-6;1-2/h4-5H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran?
ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 182.24 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 177214189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).