2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide

C11H19F2NO2 — CID 176856756

IUPAC2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide
SMILESCC(C)[C@@H]1COCC[C@H]1NC(=O)C(C)(F)F
InChIInChI=1S/C11H19F2NO2/c1-7(2)8-6-16-5-4-9(8)14-10(15)11(3,12)13/h7-9H,4-6H2,1-3H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyVGLLDXWTEBAMNR-DTWKUNHWSA-N
MW235.27 g/mol
LogP1.82
Rot. Bonds3

About 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide

2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide (PubChem CID 176856756) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide
PubChem CID176856756
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide
SMILESCC(C)[C@@H]1COCC[C@H]1NC(=O)C(C)(F)F
InChIInChI=1S/C11H19F2NO2/c1-7(2)8-6-16-5-4-9(8)14-10(15)11(3,12)13/h7-9H,4-6H2,1-3H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyVGLLDXWTEBAMNR-DTWKUNHWSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide (CID 176856756) is 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide is CC(C)[C@@H]1COCC[C@H]1NC(=O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide?
The InChIKey is VGLLDXWTEBAMNR-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-7(2)8-6-16-5-4-9(8)14-10(15)11(3,12)13/h7-9H,4-6H2,1-3H3,(H,14,15)/t8-,9+/m0/s1.
What are the key properties of 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide?
2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide has a molecular weight of 235.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide is sourced from PubChem (CID 176856756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).