N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide

C7H10F3NO2 — CID 170570752

IUPACN-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)N(C)CC(O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-3-6(13)11(2)4-5(12)7(8,9)10/h3,5,12H,1,4H2,2H3
InChIKeyGPRIBCNUUSJLKZ-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.55
Rot. Bonds3

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

N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide (PubChem CID 170570752) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
PubChem CID170570752
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC NameN-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)N(C)CC(O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-3-6(13)11(2)4-5(12)7(8,9)10/h3,5,12H,1,4H2,2H3
InChIKeyGPRIBCNUUSJLKZ-UHFFFAOYSA-N
XLogP0.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.55
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

N-(2-hydroxyethyl)-N-methylprop-2-enamide
CID 10129965
1-(2-hydroxypropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 12858661
(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-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
CID 170570526
2,2,2-trifluoro-N-[(2R)-2-hydroxybut-3-enyl]-N-methylacetamide
CID 178655123
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
2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 103513998
N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
CID 105644620
N-(3,3-difluoro-2-hydroxypropyl)prop-2-enamide
CID 105644637
1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrrole-2,5-dione
CID 105649104

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide (CID 170570752) is N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide is C=CC(=O)N(C)CC(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The InChIKey is GPRIBCNUUSJLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-3-6(13)11(2)4-5(12)7(8,9)10/h3,5,12H,1,4H2,2H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide has a molecular weight of 197.16 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 170570752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).