N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide

C12H15F4NO3 — CID 892253

IUPACN-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(COCC(F)(F)C(F)F)o1
InChIInChI=1S/C12H15F4NO3/c1-7(2)17-10(18)9-4-3-8(20-9)5-19-6-12(15,16)11(13)14/h3-4,7,11H,5-6H2,1-2H3,(H,17,18)
InChIKeyBCPKBXQMWZYHOR-UHFFFAOYSA-N
MW297.25 g/mol
LogP2.83
Rot. Bonds7

About N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide

N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide (PubChem CID 892253) has the molecular formula C12H15F4NO3 and a molecular weight of 297.25 g/mol. Its IUPAC name is N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide
PubChem CID892253
Molecular FormulaC12H15F4NO3
Molecular Weight297.25 g/mol
Exact Mass297.10
IUPAC NameN-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(COCC(F)(F)C(F)F)o1
InChIInChI=1S/C12H15F4NO3/c1-7(2)17-10(18)9-4-3-8(20-9)5-19-6-12(15,16)11(13)14/h3-4,7,11H,5-6H2,1-2H3,(H,17,18)
InChIKeyBCPKBXQMWZYHOR-UHFFFAOYSA-N
XLogP2.83
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide?
The IUPAC name of N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide (CID 892253) is N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide is CC(C)NC(=O)c1ccc(COCC(F)(F)C(F)F)o1.
What is the InChIKey of N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide?
The InChIKey is BCPKBXQMWZYHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO3/c1-7(2)17-10(18)9-4-3-8(20-9)5-19-6-12(15,16)11(13)14/h3-4,7,11H,5-6H2,1-2H3,(H,17,18).
What are the key properties of N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide?
N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide has a molecular weight of 297.25 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 892253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).