3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate

C9H12F3NO4 — CID 99800541

IUPAC3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate
SMILESNC(=O)[C@H]1CC[C@@H](C(=O)OCCC(F)(F)F)O1
InChIInChI=1S/C9H12F3NO4/c10-9(11,12)3-4-16-8(15)6-2-1-5(17-6)7(13)14/h5-6H,1-4H2,(H2,13,14)/t5-,6+/m1/s1
InChIKeyIGYFFQRVXDCFFK-RITPCOANSA-N
MW255.19 g/mol
LogP0.51
Rot. Bonds4

About 3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate

3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate (PubChem CID 99800541) has the molecular formula C9H12F3NO4 and a molecular weight of 255.19 g/mol. Its IUPAC name is 3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate.

Molecular Properties

Compound Name3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate
PubChem CID99800541
Molecular FormulaC9H12F3NO4
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate
SMILESNC(=O)[C@H]1CC[C@@H](C(=O)OCCC(F)(F)F)O1
InChIInChI=1S/C9H12F3NO4/c10-9(11,12)3-4-16-8(15)6-2-1-5(17-6)7(13)14/h5-6H,1-4H2,(H2,13,14)/t5-,6+/m1/s1
InChIKeyIGYFFQRVXDCFFK-RITPCOANSA-N
XLogP0.51
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate?
The IUPAC name of 3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate (CID 99800541) is 3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate.
What is the SMILES notation for 3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate?
The canonical SMILES for 3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate is NC(=O)[C@H]1CC[C@@H](C(=O)OCCC(F)(F)F)O1.
What is the InChIKey of 3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate?
The InChIKey is IGYFFQRVXDCFFK-RITPCOANSA-N. The full InChI is InChI=1S/C9H12F3NO4/c10-9(11,12)3-4-16-8(15)6-2-1-5(17-6)7(13)14/h5-6H,1-4H2,(H2,13,14)/t5-,6+/m1/s1.
What are the key properties of 3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate?
3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate has a molecular weight of 255.19 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate is sourced from PubChem (CID 99800541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).