N-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide

C14H17F4NO3 — CID 891668

IUPACN-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(COCC(F)(F)C(F)F)o1
InChIInChI=1S/C14H17F4NO3/c15-13(16)14(17,18)8-21-7-10-5-6-11(22-10)12(20)19-9-3-1-2-4-9/h5-6,9,13H,1-4,7-8H2,(H,19,20)
InChIKeyUNCSSRGAJKTIQF-UHFFFAOYSA-N
MW323.29 g/mol
LogP3.37
Rot. Bonds7

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

N-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide (PubChem CID 891668) has the molecular formula C14H17F4NO3 and a molecular weight of 323.29 g/mol. Its IUPAC name is N-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide
PubChem CID891668
Molecular FormulaC14H17F4NO3
Molecular Weight323.29 g/mol
Exact Mass323.11
IUPAC NameN-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(COCC(F)(F)C(F)F)o1
InChIInChI=1S/C14H17F4NO3/c15-13(16)14(17,18)8-21-7-10-5-6-11(22-10)12(20)19-9-3-1-2-4-9/h5-6,9,13H,1-4,7-8H2,(H,19,20)
InChIKeyUNCSSRGAJKTIQF-UHFFFAOYSA-N
XLogP3.37
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 53.37
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-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide (CID 891668) is N-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide is O=C(NC1CCCC1)c1ccc(COCC(F)(F)C(F)F)o1.
What is the InChIKey of N-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide?
The InChIKey is UNCSSRGAJKTIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO3/c15-13(16)14(17,18)8-21-7-10-5-6-11(22-10)12(20)19-9-3-1-2-4-9/h5-6,9,13H,1-4,7-8H2,(H,19,20).
What are the key properties of N-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide?
N-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide has a molecular weight of 323.29 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 891668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).