6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan

C9H9FO — CID 135128534

IUPAC6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan
SMILESFC1=CC=C2OCCC2=CC1
InChIInChI=1S/C9H9FO/c10-8-2-1-7-5-6-11-9(7)4-3-8/h1,3-4H,2,5-6H2
InChIKeyGJMMRSOEEJZPFQ-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.47
Rot. Bonds

About 6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan

6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan (PubChem CID 135128534) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan.

Molecular Properties

Compound Name6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan
PubChem CID135128534
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan
SMILESFC1=CC=C2OCCC2=CC1
InChIInChI=1S/C9H9FO/c10-8-2-1-7-5-6-11-9(7)4-3-8/h1,3-4H,2,5-6H2
InChIKeyGJMMRSOEEJZPFQ-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan?
The IUPAC name of 6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan (CID 135128534) is 6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan.
What is the SMILES notation for 6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan?
The canonical SMILES for 6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan is FC1=CC=C2OCCC2=CC1.
What is the InChIKey of 6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan?
The InChIKey is GJMMRSOEEJZPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c10-8-2-1-7-5-6-11-9(7)4-3-8/h1,3-4H,2,5-6H2.
What are the key properties of 6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan?
6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan has a molecular weight of 152.17 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan is sourced from PubChem (CID 135128534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).