(Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide

C9H15F2NO2 — CID 103769682

IUPAC(Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(O)C(F)F
InChIInChI=1S/C9H15F2NO2/c1-3-4-6(2)9(14)12-5-7(13)8(10)11/h4,7-8,13H,3,5H2,1-2H3,(H,12,14)/b6-4-
InChIKeyLBOSYYVLLQSDFG-XQRVVYSFSA-N
MW207.22 g/mol
LogP1.08
Rot. Bonds5

About (Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide

(Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide (PubChem CID 103769682) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is (Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide
PubChem CID103769682
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name(Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(O)C(F)F
InChIInChI=1S/C9H15F2NO2/c1-3-4-6(2)9(14)12-5-7(13)8(10)11/h4,7-8,13H,3,5H2,1-2H3,(H,12,14)/b6-4-
InChIKeyLBOSYYVLLQSDFG-XQRVVYSFSA-N
XLogP1.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.08
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)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide (CID 103769682) is (Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCC(O)C(F)F.
What is the InChIKey of (Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide?
The InChIKey is LBOSYYVLLQSDFG-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-3-4-6(2)9(14)12-5-7(13)8(10)11/h4,7-8,13H,3,5H2,1-2H3,(H,12,14)/b6-4-.
What are the key properties of (Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide?
(Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide has a molecular weight of 207.22 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide is sourced from PubChem (CID 103769682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).