7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran

C9H11FO — CID 134238646

IUPAC7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran
SMILESCC1=C2CCOC2C(F)C=C1
InChIInChI=1S/C9H11FO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-3,8-9H,4-5H2,1H3
InChIKeyMIUVVFDWTBCHJM-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.00
Rot. Bonds

About 7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran

7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran (PubChem CID 134238646) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran
PubChem CID134238646
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran
SMILESCC1=C2CCOC2C(F)C=C1
InChIInChI=1S/C9H11FO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-3,8-9H,4-5H2,1H3
InChIKeyMIUVVFDWTBCHJM-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran?
The IUPAC name of 7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran (CID 134238646) is 7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran.
What is the SMILES notation for 7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran?
The canonical SMILES for 7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran is CC1=C2CCOC2C(F)C=C1.
What is the InChIKey of 7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran?
The InChIKey is MIUVVFDWTBCHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-3,8-9H,4-5H2,1H3.
What are the key properties of 7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran?
7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran has a molecular weight of 154.18 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran is sourced from PubChem (CID 134238646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).