(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide

C10H11F2NO3 — CID 103769714

IUPAC(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC(O)C(F)F
InChIInChI=1S/C10H11F2NO3/c11-10(12)8(14)6-13-9(15)4-3-7-2-1-5-16-7/h1-5,8,10,14H,6H2,(H,13,15)/b4-3+
InChIKeyAGPTXPFNOHGCKE-ONEGZZNKSA-N
MW231.20 g/mol
LogP1.03
Rot. Bonds5

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

(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 103769714) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID103769714
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC(O)C(F)F
InChIInChI=1S/C10H11F2NO3/c11-10(12)8(14)6-13-9(15)4-3-7-2-1-5-16-7/h1-5,8,10,14H,6H2,(H,13,15)/b4-3+
InChIKeyAGPTXPFNOHGCKE-ONEGZZNKSA-N
XLogP1.03
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113675
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide
CID 171139195
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 104857087
(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide
CID 6382996
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide
CID 97428878
(E)-3-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)prop-2-enamide
CID 113258550
(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 75408048
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
CID 115979782
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide (CID 103769714) is (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)NCC(O)C(F)F.
What is the InChIKey of (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is AGPTXPFNOHGCKE-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H11F2NO3/c11-10(12)8(14)6-13-9(15)4-3-7-2-1-5-16-7/h1-5,8,10,14H,6H2,(H,13,15)/b4-3+.
What are the key properties of (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 231.20 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 103769714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).