(Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide

C9H14F3NO2 — CID 103730634

IUPAC(Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-3-4-6(2)8(15)13-5-7(14)9(10,11)12/h4,7,14H,3,5H2,1-2H3,(H,13,15)/b6-4-
InChIKeyQTCLDTDGPCURRZ-XQRVVYSFSA-N
MW225.21 g/mol
LogP1.38
Rot. Bonds4

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

(Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide (PubChem CID 103730634) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is (Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide
PubChem CID103730634
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name(Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-3-4-6(2)8(15)13-5-7(14)9(10,11)12/h4,7,14H,3,5H2,1-2H3,(H,13,15)/b6-4-
InChIKeyQTCLDTDGPCURRZ-XQRVVYSFSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide?
The IUPAC name of (Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide (CID 103730634) is (Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide.
What is the SMILES notation for (Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide?
The canonical SMILES for (Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide is CC/C=C(/C)C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of (Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide?
The InChIKey is QTCLDTDGPCURRZ-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-3-4-6(2)8(15)13-5-7(14)9(10,11)12/h4,7,14H,3,5H2,1-2H3,(H,13,15)/b6-4-.
What are the key properties of (Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide?
(Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide has a molecular weight of 225.21 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide is sourced from PubChem (CID 103730634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).