7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran

C9H11FO — CID 91355625

IUPAC7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran
SMILESC=C1CCC(F)C2OC=CC12
InChIInChI=1S/C9H11FO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h4-5,7-9H,1-3H2
InChIKeyDQXYLFCPIHNLAD-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.20
Rot. Bonds

About 7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran

7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran (PubChem CID 91355625) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran.

Molecular Properties

Compound Name7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran
PubChem CID91355625
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran
SMILESC=C1CCC(F)C2OC=CC12
InChIInChI=1S/C9H11FO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h4-5,7-9H,1-3H2
InChIKeyDQXYLFCPIHNLAD-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran with MolForge

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Related Compounds

5-fluoro-7-methylidene-4,5,6,7a-tetrahydro-3aH-1-benzofuran
CID 91118805
(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1-benzofuran
CID 13812078
2-Cyclohexyl-2,3-dihydrofuran
CID 135036725
3a,4,5,6,7,7a-Hexahydro-1-benzofuran
CID 13401477
7-methylidene-4,5,6,7a-tetrahydro-3aH-1-benzofuran
CID 90895371
4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran
CID 91066478
5-methylidene-4,6,7,7a-tetrahydro-3aH-1-benzofuran
CID 91386770
3-Methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran
CID 118441346
2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran
CID 123294094
(2S)-2-cyclohexyl-2,3-dihydrofuran
CID 125485513
(2R)-2-cyclohexyl-2,3-dihydrofuran
CID 125485514
5-Methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran
CID 141783129

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran?
The IUPAC name of 7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran (CID 91355625) is 7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran.
What is the SMILES notation for 7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran?
The canonical SMILES for 7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran is C=C1CCC(F)C2OC=CC12.
What is the InChIKey of 7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran?
The InChIKey is DQXYLFCPIHNLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h4-5,7-9H,1-3H2.
What are the key properties of 7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran?
7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran has a molecular weight of 154.18 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran is sourced from PubChem (CID 91355625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).