2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide

C9H12F5NO3 — CID 114143734

IUPAC2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
SMILESCC1OCCC1(O)CNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO3/c1-5-7(17,2-3-18-5)4-15-6(16)8(10,11)9(12,13)14/h5,17H,2-4H2,1H3,(H,15,16)
InChIKeyYXSAIXVPJOXEOJ-UHFFFAOYSA-N
MW277.19 g/mol
LogP0.84
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide

2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide (PubChem CID 114143734) has the molecular formula C9H12F5NO3 and a molecular weight of 277.19 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
PubChem CID114143734
Molecular FormulaC9H12F5NO3
Molecular Weight277.19 g/mol
Exact Mass277.07
IUPAC Name2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
SMILESCC1OCCC1(O)CNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO3/c1-5-7(17,2-3-18-5)4-15-6(16)8(10,11)9(12,13)14/h5,17H,2-4H2,1H3,(H,15,16)
InChIKeyYXSAIXVPJOXEOJ-UHFFFAOYSA-N
XLogP0.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide with MolForge

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Related Compounds

3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 106101650
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide
CID 106102911
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(methylamino)propanamide
CID 106101711
2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907
4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 106101684
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301763
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide (CID 114143734) is 2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide is CC1OCCC1(O)CNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The InChIKey is YXSAIXVPJOXEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO3/c1-5-7(17,2-3-18-5)4-15-6(16)8(10,11)9(12,13)14/h5,17H,2-4H2,1H3,(H,15,16).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide has a molecular weight of 277.19 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 114143734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).