4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide

C9H14F3NO2 — CID 115775996

IUPAC4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide
SMILESC=CCN(CCO)C(=O)CCC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-2-5-13(6-7-14)8(15)3-4-9(10,11)12/h2,14H,1,3-7H2
InChIKeyRAODWBTVENYHIO-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.34
Rot. Bonds6

About 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide

4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide (PubChem CID 115775996) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide
PubChem CID115775996
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide
SMILESC=CCN(CCO)C(=O)CCC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-2-5-13(6-7-14)8(15)3-4-9(10,11)12/h2,14H,1,3-7H2
InChIKeyRAODWBTVENYHIO-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide (CID 115775996) is 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide is C=CCN(CCO)C(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide?
The InChIKey is RAODWBTVENYHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-2-5-13(6-7-14)8(15)3-4-9(10,11)12/h2,14H,1,3-7H2.
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide?
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide has a molecular weight of 225.21 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide is sourced from PubChem (CID 115775996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).