3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide

C10H17F2NO3 — CID 136538217

IUPAC3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
SMILESCC1OCCC1(O)CNC(=O)CC(C)(F)F
InChIInChI=1S/C10H17F2NO3/c1-7-10(15,3-4-16-7)6-13-8(14)5-9(2,11)12/h7,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyAUYKXYCMIMRNMU-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.69
Rot. Bonds4

About 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide

3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide (PubChem CID 136538217) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
PubChem CID136538217
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
SMILESCC1OCCC1(O)CNC(=O)CC(C)(F)F
InChIInChI=1S/C10H17F2NO3/c1-7-10(15,3-4-16-7)6-13-8(14)5-9(2,11)12/h7,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyAUYKXYCMIMRNMU-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
The IUPAC name of 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide (CID 136538217) is 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide.
What is the SMILES notation for 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
The canonical SMILES for 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide is CC1OCCC1(O)CNC(=O)CC(C)(F)F.
What is the InChIKey of 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
The InChIKey is AUYKXYCMIMRNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-7-10(15,3-4-16-7)6-13-8(14)5-9(2,11)12/h7,15H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide has a molecular weight of 237.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 136538217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).