(2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide

C8H13F2NO2 — CID 154881682

IUPAC(2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCO[C@@H]1C(F)F
InChIInChI=1S/C8H13F2NO2/c1-11(2)8(12)5-3-4-13-6(5)7(9)10/h5-7H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyIIHVVCFEYSOEGB-RITPCOANSA-N
MW193.19 g/mol
LogP0.74
Rot. Bonds2

About (2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide

(2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide (PubChem CID 154881682) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is (2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide
PubChem CID154881682
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name(2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCO[C@@H]1C(F)F
InChIInChI=1S/C8H13F2NO2/c1-11(2)8(12)5-3-4-13-6(5)7(9)10/h5-7H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyIIHVVCFEYSOEGB-RITPCOANSA-N
XLogP0.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide?
The IUPAC name of (2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide (CID 154881682) is (2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide.
What is the SMILES notation for (2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide?
The canonical SMILES for (2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide is CN(C)C(=O)[C@@H]1CCO[C@@H]1C(F)F.
What is the InChIKey of (2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide?
The InChIKey is IIHVVCFEYSOEGB-RITPCOANSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-11(2)8(12)5-3-4-13-6(5)7(9)10/h5-7H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide?
(2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide has a molecular weight of 193.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(difluoromethyl)-N,N-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 154881682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).