N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide

C6H9F2NO2 — CID 106168660

IUPACN-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)NCC(F)(F)CO
InChIInChI=1S/C6H9F2NO2/c1-2-5(11)9-3-6(7,8)4-10/h2,10H,1,3-4H2,(H,9,11)
InChIKeyVCYGNRQEWLTTCY-UHFFFAOYSA-N
MW165.14 g/mol
LogP-0.08
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide

N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide (PubChem CID 106168660) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide
PubChem CID106168660
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)NCC(F)(F)CO
InChIInChI=1S/C6H9F2NO2/c1-2-5(11)9-3-6(7,8)4-10/h2,10H,1,3-4H2,(H,9,11)
InChIKeyVCYGNRQEWLTTCY-UHFFFAOYSA-N
XLogP-0.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-0.08
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 N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide (CID 106168660) is N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide is C=CC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide?
The InChIKey is VCYGNRQEWLTTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-2-5(11)9-3-6(7,8)4-10/h2,10H,1,3-4H2,(H,9,11).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide?
N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide has a molecular weight of 165.14 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 106168660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).