3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide

C9H11F6NO2 — CID 103310237

IUPAC3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide
SMILESC=CCN(CCO)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6NO2/c1-2-3-16(4-5-17)7(18)6(8(10,11)12)9(13,14)15/h2,6,17H,1,3-5H2
InChIKeyBFUGCFVLXWNIFW-UHFFFAOYSA-N
MW279.18 g/mol
LogP1.73
Rot. Bonds5

About 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide (PubChem CID 103310237) has the molecular formula C9H11F6NO2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide
PubChem CID103310237
Molecular FormulaC9H11F6NO2
Molecular Weight279.18 g/mol
Exact Mass279.07
IUPAC Name3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide
SMILESC=CCN(CCO)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6NO2/c1-2-3-16(4-5-17)7(18)6(8(10,11)12)9(13,14)15/h2,6,17H,1,3-5H2
InChIKeyBFUGCFVLXWNIFW-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium
CID 89176264
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide
CID 86081344
3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
CID 103310153
2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 103513998
2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide
CID 103528737
2,2,3,3-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 103860932
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)but-3-enamide
CID 107482503
N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
CID 107483262
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide
CID 107483360
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide
CID 107483448
2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 108092815
2-[Prop-2-enyl-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]acetic acid
CID 113801149

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide (CID 103310237) is 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide is C=CCN(CCO)C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide?
The InChIKey is BFUGCFVLXWNIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6NO2/c1-2-3-16(4-5-17)7(18)6(8(10,11)12)9(13,14)15/h2,6,17H,1,3-5H2.
What are the key properties of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide has a molecular weight of 279.18 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).