3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide

C7H12F3NO3 — CID 61235446

IUPAC3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide
SMILESO=C(CC(F)(F)F)N(CCO)CCO
InChIInChI=1S/C7H12F3NO3/c8-7(9,10)5-6(14)11(1-3-12)2-4-13/h12-13H,1-5H2
InChIKeyUNTVZSVXEGKTEH-UHFFFAOYSA-N
MW215.17 g/mol
LogP-0.25
Rot. Bonds5

About 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide

3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide (PubChem CID 61235446) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide
PubChem CID61235446
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide
SMILESO=C(CC(F)(F)F)N(CCO)CCO
InChIInChI=1S/C7H12F3NO3/c8-7(9,10)5-6(14)11(1-3-12)2-4-13/h12-13H,1-5H2
InChIKeyUNTVZSVXEGKTEH-UHFFFAOYSA-N
XLogP-0.25
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide (CID 61235446) is 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide is O=C(CC(F)(F)F)N(CCO)CCO.
What is the InChIKey of 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide?
The InChIKey is UNTVZSVXEGKTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c8-7(9,10)5-6(14)11(1-3-12)2-4-13/h12-13H,1-5H2.
What are the key properties of 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide?
3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide has a molecular weight of 215.17 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide is sourced from PubChem (CID 61235446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).