2-(difluoromethyl)-5-isocyanofuran

C6H3F2NO — CID 59276722

IUPAC2-(difluoromethyl)-5-isocyanofuran
SMILES[C-]#[N+]c1ccc(C(F)F)o1
InChIInChI=1S/C6H3F2NO/c1-9-5-3-2-4(10-5)6(7)8/h2-3,6H
InChIKeyGODUWZAAKJPJHV-UHFFFAOYSA-N
MW143.09 g/mol
LogP2.77
Rot. Bonds1

About 2-(difluoromethyl)-5-isocyanofuran

2-(difluoromethyl)-5-isocyanofuran (PubChem CID 59276722) has the molecular formula C6H3F2NO and a molecular weight of 143.09 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-isocyanofuran.

Molecular Properties

Compound Name2-(difluoromethyl)-5-isocyanofuran
PubChem CID59276722
Molecular FormulaC6H3F2NO
Molecular Weight143.09 g/mol
Exact Mass143.02
IUPAC Name2-(difluoromethyl)-5-isocyanofuran
SMILES[C-]#[N+]c1ccc(C(F)F)o1
InChIInChI=1S/C6H3F2NO/c1-9-5-3-2-4(10-5)6(7)8/h2-3,6H
InChIKeyGODUWZAAKJPJHV-UHFFFAOYSA-N
XLogP2.77
TPSA17.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.09
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Furan, 2-methyl-5-nitro-
CID 13206
Furan, 2-ethenyl-5-nitro-
CID 156141
2-Nitro-5-(trifluoromethyl)furan
CID 23262603
2-(Difluoromethyl)-5-nitrofuran
CID 119096210
3-(5-Nitro-2-furanyl)-2-propenenitrile
CID 6365195
5-Trifluoromethyl-2-acetamidofuran
CID 85934454
2-Vinyl 5-amino furan
CID 89260072
beta-(5-Amino-2-furyl)acrolein
CID 119094609
N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide
CID 59588879
5-(Trifluoromethyl)furan-2-amine
CID 91884047
N,N-dimethyl-5-(trifluoromethyl)furan-2-amine
CID 167181620
3-Methyl-5-(trifluoromethyl)furan-2-amine
CID 172772303

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-isocyanofuran?
The IUPAC name of 2-(difluoromethyl)-5-isocyanofuran (CID 59276722) is 2-(difluoromethyl)-5-isocyanofuran.
What is the SMILES notation for 2-(difluoromethyl)-5-isocyanofuran?
The canonical SMILES for 2-(difluoromethyl)-5-isocyanofuran is [C-]#[N+]c1ccc(C(F)F)o1.
What is the InChIKey of 2-(difluoromethyl)-5-isocyanofuran?
The InChIKey is GODUWZAAKJPJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2NO/c1-9-5-3-2-4(10-5)6(7)8/h2-3,6H.
What are the key properties of 2-(difluoromethyl)-5-isocyanofuran?
2-(difluoromethyl)-5-isocyanofuran has a molecular weight of 143.09 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-isocyanofuran is sourced from PubChem (CID 59276722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).