N-(1-fluoropropan-2-yl)oxane-3-carboxamide

C9H16FNO2 — CID 130875159

IUPACN-(1-fluoropropan-2-yl)oxane-3-carboxamide
SMILESCC(CF)NC(=O)C1CCCOC1
InChIInChI=1S/C9H16FNO2/c1-7(5-10)11-9(12)8-3-2-4-13-6-8/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyHIQIFAZOAXJAJG-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.89
Rot. Bonds3

About N-(1-fluoropropan-2-yl)oxane-3-carboxamide

N-(1-fluoropropan-2-yl)oxane-3-carboxamide (PubChem CID 130875159) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)oxane-3-carboxamide
PubChem CID130875159
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC NameN-(1-fluoropropan-2-yl)oxane-3-carboxamide
SMILESCC(CF)NC(=O)C1CCCOC1
InChIInChI=1S/C9H16FNO2/c1-7(5-10)11-9(12)8-3-2-4-13-6-8/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyHIQIFAZOAXJAJG-UHFFFAOYSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide
CID 99775524
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide
CID 62759955
N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide
CID 71986117
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]oxane-3-carboxamide
CID 72000625
N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide
CID 82811551
(3R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]oxane-3-carboxamide
CID 97571587
(3S)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]oxane-3-carboxamide
CID 97571588
(3R)-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586054
(3R)-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586055
(3S)-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586056
(3S)-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586057
N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide
CID 104857173

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)oxane-3-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)oxane-3-carboxamide (CID 130875159) is N-(1-fluoropropan-2-yl)oxane-3-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)oxane-3-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)oxane-3-carboxamide is CC(CF)NC(=O)C1CCCOC1.
What is the InChIKey of N-(1-fluoropropan-2-yl)oxane-3-carboxamide?
The InChIKey is HIQIFAZOAXJAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7(5-10)11-9(12)8-3-2-4-13-6-8/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of N-(1-fluoropropan-2-yl)oxane-3-carboxamide?
N-(1-fluoropropan-2-yl)oxane-3-carboxamide has a molecular weight of 189.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)oxane-3-carboxamide is sourced from PubChem (CID 130875159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).