(2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride

C15H16F2O6 — CID 161367888

IUPAC(2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride
SMILESCOc1ccc(C=O)o1.F.O=Cc1ccco1.[2H]F.c1ccoc1
InChIInChI=1S/C6H6O3.C5H4O2.C4H4O.2FH/c1-8-6-3-2-5(4-7)9-6;6-4-5-2-1-3-7-5;1-2-4-5-3-1;;/h2-4H,1H3;1-4H;1-4H;2*1H/i/hD
InChIKeyVQBCYARJQVWEBQ-DYCDLGHISA-N
MW331.29 g/mol
LogP3.78
Rot. Bonds3

About (2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride

(2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride (PubChem CID 161367888) has the molecular formula C15H16F2O6 and a molecular weight of 331.29 g/mol. Its IUPAC name is (2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride.

Molecular Properties

Compound Name(2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride
PubChem CID161367888
Molecular FormulaC15H16F2O6
Molecular Weight331.29 g/mol
Exact Mass331.10
IUPAC Name(2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride
SMILESCOc1ccc(C=O)o1.F.O=Cc1ccco1.[2H]F.c1ccoc1
InChIInChI=1S/C6H6O3.C5H4O2.C4H4O.2FH/c1-8-6-3-2-5(4-7)9-6;6-4-5-2-1-3-7-5;1-2-4-5-3-1;;/h2-4H,1H3;1-4H;1-4H;2*1H/i/hD
InChIKeyVQBCYARJQVWEBQ-DYCDLGHISA-N
XLogP3.78
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride?
The IUPAC name of (2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride (CID 161367888) is (2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride.
What is the SMILES notation for (2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride?
The canonical SMILES for (2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride is COc1ccc(C=O)o1.F.O=Cc1ccco1.[2H]F.c1ccoc1.
What is the InChIKey of (2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride?
The InChIKey is VQBCYARJQVWEBQ-DYCDLGHISA-N. The full InChI is InChI=1S/C6H6O3.C5H4O2.C4H4O.2FH/c1-8-6-3-2-5(4-7)9-6;6-4-5-2-1-3-7-5;1-2-4-5-3-1;;/h2-4H,1H3;1-4H;1-4H;2*1H/i/hD.
What are the key properties of (2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride?
(2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride has a molecular weight of 331.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2H)fluorane;furan;furan-2-carbaldehyde;5-methoxyfuran-2-carbaldehyde;hydrofluoride is sourced from PubChem (CID 161367888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).