N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide

C9H11F2NO3 — CID 104857131

IUPACN-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCC(F)(F)CO)o1
InChIInChI=1S/C9H11F2NO3/c1-6-2-3-7(15-6)8(14)12-4-9(10,11)5-13/h2-3,13H,4-5H2,1H3,(H,12,14)
InChIKeyURSQELSUYWFWLR-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.95
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide (PubChem CID 104857131) has the molecular formula C9H11F2NO3 and a molecular weight of 219.19 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide
PubChem CID104857131
Molecular FormulaC9H11F2NO3
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCC(F)(F)CO)o1
InChIInChI=1S/C9H11F2NO3/c1-6-2-3-7(15-6)8(14)12-4-9(10,11)5-13/h2-3,13H,4-5H2,1H3,(H,12,14)
InChIKeyURSQELSUYWFWLR-UHFFFAOYSA-N
XLogP0.95
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide
CID 103772319
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide
CID 107845274
N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide
CID 106250802
N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide
CID 106843396
N-(2,2-difluoro-3-hydroxypropyl)-3-methylfuran-2-carboxamide
CID 104858004
5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011
N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide
CID 113462790
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide
CID 104857865
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide
CID 104857620
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
CID 29294243
N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide
CID 104857933

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide (CID 104857131) is N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NCC(F)(F)CO)o1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide?
The InChIKey is URSQELSUYWFWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3/c1-6-2-3-7(15-6)8(14)12-4-9(10,11)5-13/h2-3,13H,4-5H2,1H3,(H,12,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide has a molecular weight of 219.19 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 104857131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).