2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide

C9H9F4NO2 — CID 103733157

IUPAC2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide
SMILESCN(Cc1ccoc1)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H9F4NO2/c1-14(4-6-2-3-16-5-6)8(15)9(12,13)7(10)11/h2-3,5,7H,4H2,1H3
InChIKeyKKWHDSTWIVVCSZ-UHFFFAOYSA-N
MW239.17 g/mol
LogP2.14
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide

2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide (PubChem CID 103733157) has the molecular formula C9H9F4NO2 and a molecular weight of 239.17 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide
PubChem CID103733157
Molecular FormulaC9H9F4NO2
Molecular Weight239.17 g/mol
Exact Mass239.06
IUPAC Name2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide
SMILESCN(Cc1ccoc1)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H9F4NO2/c1-14(4-6-2-3-16-5-6)8(15)9(12,13)7(10)11/h2-3,5,7H,4H2,1H3
InChIKeyKKWHDSTWIVVCSZ-UHFFFAOYSA-N
XLogP2.14
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 78973579
N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide
CID 107024417
N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
CID 110868951
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957906
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498062
N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548872
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732007
2-ethoxy-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61216289
N-(furan-3-ylmethyl)-N,4-dimethylbenzamide
CID 110868919
2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 61426806

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide (CID 103733157) is 2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide is CN(Cc1ccoc1)C(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide?
The InChIKey is KKWHDSTWIVVCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO2/c1-14(4-6-2-3-16-5-6)8(15)9(12,13)7(10)11/h2-3,5,7H,4H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide?
2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide has a molecular weight of 239.17 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide is sourced from PubChem (CID 103733157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).