N-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide

C9H14F3NO2 — CID 170570526

IUPACN-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)N(CC(O)C(F)(F)F)C(C)C
InChIInChI=1S/C9H14F3NO2/c1-4-8(15)13(6(2)3)5-7(14)9(10,11)12/h4,6-7,14H,1,5H2,2-3H3
InChIKeyGYSAVPOTIBRAGG-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.33
Rot. Bonds4

About N-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide

N-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide (PubChem CID 170570526) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
PubChem CID170570526
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)N(CC(O)C(F)(F)F)C(C)C
InChIInChI=1S/C9H14F3NO2/c1-4-8(15)13(6(2)3)5-7(14)9(10,11)12/h4,6-7,14H,1,5H2,2-3H3
InChIKeyGYSAVPOTIBRAGG-UHFFFAOYSA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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
N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
CID 146094363
N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
CID 170570752
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 60949628
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-2-enamide
CID 80280193
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 107479044
(E)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)but-2-enamide
CID 107479053
(E)-4-(dimethylamino)-N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide
CID 146097671
N,N-bis(2-hydroxypropyl)prop-2-enamide
CID 19437431
N-(1-hydroxybutan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 20255449
N-(2-hydroxypropyl)-N-methylprop-2-enamide
CID 20748212
N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide
CID 43573264

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The IUPAC name of N-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide (CID 170570526) is N-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for N-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The canonical SMILES for N-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide is C=CC(=O)N(CC(O)C(F)(F)F)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The InChIKey is GYSAVPOTIBRAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-4-8(15)13(6(2)3)5-7(14)9(10,11)12/h4,6-7,14H,1,5H2,2-3H3.
What are the key properties of N-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
N-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide has a molecular weight of 225.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 170570526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).