5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran

C9H8F2O — CID 155422703

IUPAC5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran
SMILESCC1OCc2cc(F)c(F)cc21
InChIInChI=1S/C9H8F2O/c1-5-7-3-9(11)8(10)2-6(7)4-12-5/h2-3,5H,4H2,1H3
InChIKeyWLNGTFMILXUJBK-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.56
Rot. Bonds

About 5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran

5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran (PubChem CID 155422703) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran
PubChem CID155422703
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran
SMILESCC1OCc2cc(F)c(F)cc21
InChIInChI=1S/C9H8F2O/c1-5-7-3-9(11)8(10)2-6(7)4-12-5/h2-3,5H,4H2,1H3
InChIKeyWLNGTFMILXUJBK-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 171640882
1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene
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(1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone
CID 25187487
(5S)-3,5-dimethyl-2-(2,4,5-trifluorophenyl)morpholine;hydrochloride
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1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol
CID 129180560
1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride
CID 153364867
1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 165409710
5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene
CID 22975342
(3S,4R)-6-fluoro-3-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134223128
8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
CID 11253793
2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran
CID 71120419

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran?
The IUPAC name of 5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran (CID 155422703) is 5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran is CC1OCc2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran?
The InChIKey is WLNGTFMILXUJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c1-5-7-3-9(11)8(10)2-6(7)4-12-5/h2-3,5H,4H2,1H3.
What are the key properties of 5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran?
5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran has a molecular weight of 170.16 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 155422703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).