3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C10H16F3NO3 — CID 103723065

IUPAC3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESO=C(CCC1CCCO1)NCC(O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)8(15)6-14-9(16)4-3-7-2-1-5-17-7/h7-8,15H,1-6H2,(H,14,16)
InChIKeyBMMZZLYDGIIJNW-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.99
Rot. Bonds5

About 3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103723065) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103723065
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESO=C(CCC1CCCO1)NCC(O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)8(15)6-14-9(16)4-3-7-2-1-5-17-7/h7-8,15H,1-6H2,(H,14,16)
InChIKeyBMMZZLYDGIIJNW-UHFFFAOYSA-N
XLogP0.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103723065) is 3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is O=C(CCC1CCCO1)NCC(O)C(F)(F)F.
What is the InChIKey of 3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is BMMZZLYDGIIJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)8(15)6-14-9(16)4-3-7-2-1-5-17-7/h7-8,15H,1-6H2,(H,14,16).
What are the key properties of 3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 255.24 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103723065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).