N-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide

C9H13F3N2O — CID 147101839

IUPACN-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide
SMILESC=C(CN/C=C\CC(F)(F)F)NC(C)=O
InChIInChI=1S/C9H13F3N2O/c1-7(14-8(2)15)6-13-5-3-4-9(10,11)12/h3,5,13H,1,4,6H2,2H3,(H,14,15)/b5-3-
InChIKeyBKUOICIZCPOEHU-HYXAFXHYSA-N
MW222.21 g/mol
LogP1.69
Rot. Bonds5

About N-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide

N-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide (PubChem CID 147101839) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide
PubChem CID147101839
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide
SMILESC=C(CN/C=C\CC(F)(F)F)NC(C)=O
InChIInChI=1S/C9H13F3N2O/c1-7(14-8(2)15)6-13-5-3-4-9(10,11)12/h3,5,13H,1,4,6H2,2H3,(H,14,15)/b5-3-
InChIKeyBKUOICIZCPOEHU-HYXAFXHYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide?
The IUPAC name of N-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide (CID 147101839) is N-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide?
The canonical SMILES for N-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide is C=C(CN/C=C\CC(F)(F)F)NC(C)=O.
What is the InChIKey of N-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide?
The InChIKey is BKUOICIZCPOEHU-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-7(14-8(2)15)6-13-5-3-4-9(10,11)12/h3,5,13H,1,4,6H2,2H3,(H,14,15)/b5-3-.
What are the key properties of N-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide?
N-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide has a molecular weight of 222.21 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide is sourced from PubChem (CID 147101839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).