(2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide

C10H16F3NO3 — CID 99854778

IUPAC(2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide
SMILESC[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-6-7(3-4-17-6)9(16)14(2)5-8(15)10(11,12)13/h6-8,15H,3-5H2,1-2H3/t6-,7-,8+/m0/s1
InChIKeyTVBXKTLZYZCBKA-BIIVOSGPSA-N
MW255.24 g/mol
LogP0.79
Rot. Bonds3

About (2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide

(2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide (PubChem CID 99854778) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is (2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide
PubChem CID99854778
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name(2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide
SMILESC[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-6-7(3-4-17-6)9(16)14(2)5-8(15)10(11,12)13/h6-8,15H,3-5H2,1-2H3/t6-,7-,8+/m0/s1
InChIKeyTVBXKTLZYZCBKA-BIIVOSGPSA-N
XLogP0.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide (CID 99854778) is (2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide is C[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](O)C(F)(F)F.
What is the InChIKey of (2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide?
The InChIKey is TVBXKTLZYZCBKA-BIIVOSGPSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-6-7(3-4-17-6)9(16)14(2)5-8(15)10(11,12)13/h6-8,15H,3-5H2,1-2H3/t6-,7-,8+/m0/s1.
What are the key properties of (2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide?
(2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide is sourced from PubChem (CID 99854778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).