N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide

C8H12F3NO2S — CID 103726156

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CCCS1
InChIInChI=1S/C8H12F3NO2S/c9-8(10,11)6(13)4-12-7(14)5-2-1-3-15-5/h5-6,13H,1-4H2,(H,12,14)
InChIKeyYHVGJAQWOFRZRV-UHFFFAOYSA-N
MW243.25 g/mol
LogP0.92
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide

N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide (PubChem CID 103726156) has the molecular formula C8H12F3NO2S and a molecular weight of 243.25 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide
PubChem CID103726156
Molecular FormulaC8H12F3NO2S
Molecular Weight243.25 g/mol
Exact Mass243.05
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CCCS1
InChIInChI=1S/C8H12F3NO2S/c9-8(10,11)6(13)4-12-7(14)5-2-1-3-15-5/h5-6,13H,1-4H2,(H,12,14)
InChIKeyYHVGJAQWOFRZRV-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide (CID 103726156) is N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide is O=C(NCC(O)C(F)(F)F)C1CCCS1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide?
The InChIKey is YHVGJAQWOFRZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2S/c9-8(10,11)6(13)4-12-7(14)5-2-1-3-15-5/h5-6,13H,1-4H2,(H,12,14).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide has a molecular weight of 243.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-2-carboxamide is sourced from PubChem (CID 103726156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).