2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide

C9H16FNO3 — CID 126972964

IUPAC2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H16FNO3/c1-8(2,10)7(12)11-5-9(13)3-4-14-6-9/h13H,3-6H2,1-2H3,(H,11,12)
InChIKeyBRAIZGKMEHEXEA-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.00
Rot. Bonds3

About 2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide

2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide (PubChem CID 126972964) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
PubChem CID126972964
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H16FNO3/c1-8(2,10)7(12)11-5-9(13)3-4-14-6-9/h13H,3-6H2,1-2H3,(H,11,12)
InChIKeyBRAIZGKMEHEXEA-UHFFFAOYSA-N
XLogP0.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide
CID 58593343
3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103525863
3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848696
2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848818
2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849023
4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 103849084
2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104708935
2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104709202
3-[(3-Fluoropropylamino)methyl]oxolan-3-ol
CID 106100456
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106100461
2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101458
3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide
CID 106102867

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide (CID 126972964) is 2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide is CC(C)(F)C(=O)NCC1(O)CCOC1.
What is the InChIKey of 2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The InChIKey is BRAIZGKMEHEXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-8(2,10)7(12)11-5-9(13)3-4-14-6-9/h13H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide has a molecular weight of 205.23 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 126972964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).