N-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane

C8H13F3N2O — CID 155730393

IUPACN-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane
SMILESCC.CC(=O)NC(CC#N)C(F)(F)F
InChIInChI=1S/C6H7F3N2O.C2H6/c1-4(12)11-5(2-3-10)6(7,8)9;1-2/h5H,2H2,1H3,(H,11,12);1-2H3
InChIKeyHWMAPHMIEWTALI-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.99
Rot. Bonds2

About N-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane

N-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane (PubChem CID 155730393) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane
PubChem CID155730393
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane
SMILESCC.CC(=O)NC(CC#N)C(F)(F)F
InChIInChI=1S/C6H7F3N2O.C2H6/c1-4(12)11-5(2-3-10)6(7,8)9;1-2/h5H,2H2,1H3,(H,11,12);1-2H3
InChIKeyHWMAPHMIEWTALI-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane?
The IUPAC name of N-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane (CID 155730393) is N-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane.
What is the SMILES notation for N-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane?
The canonical SMILES for N-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane is CC.CC(=O)NC(CC#N)C(F)(F)F.
What is the InChIKey of N-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane?
The InChIKey is HWMAPHMIEWTALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O.C2H6/c1-4(12)11-5(2-3-10)6(7,8)9;1-2/h5H,2H2,1H3,(H,11,12);1-2H3.
What are the key properties of N-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane?
N-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane has a molecular weight of 210.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane is sourced from PubChem (CID 155730393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).