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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Related Compounds

N-(3-[(2-Ethylhexyl)oxy]propyl)-2,2,2-trifluoroacetamide
CID 91721560
2,2,2-trifluoro-N-[(2S,3R,4S,6S)-2,3,6-trimethyloxan-4-yl]acetamide
CID 60018446
2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide
CID 87194404
N-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 176856709
2,2,3,3,3-pentafluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]propanamide
CID 176856801
2,2-difluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]acetamide
CID 176856891
2,2-difluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide
CID 176856938
2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide
CID 176856944
2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide
CID 176856947
2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide
CID 20816369
N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide
CID 82786538
2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 83028454

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).