N-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane

C12H22F3NO2 — CID 145466645

IUPACN-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane
SMILESCC.CC(=O)C(NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H16F3NO2.C2H6/c1-6(15)8(9(2,3)4)14-7(16)5-10(11,12)13;1-2/h8H,5H2,1-4H3,(H,14,16);1-2H3
InChIKeyMJWKPALVYGIVSN-UHFFFAOYSA-N
MW269.31 g/mol
LogP3.08
Rot. Bonds3

About N-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane

N-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane (PubChem CID 145466645) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane
PubChem CID145466645
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC NameN-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane
SMILESCC.CC(=O)C(NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H16F3NO2.C2H6/c1-6(15)8(9(2,3)4)14-7(16)5-10(11,12)13;1-2/h8H,5H2,1-4H3,(H,14,16);1-2H3
InChIKeyMJWKPALVYGIVSN-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane?
The IUPAC name of N-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane (CID 145466645) is N-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane.
What is the SMILES notation for N-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane?
The canonical SMILES for N-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane is CC.CC(=O)C(NC(=O)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane?
The InChIKey is MJWKPALVYGIVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2.C2H6/c1-6(15)8(9(2,3)4)14-7(16)5-10(11,12)13;1-2/h8H,5H2,1-4H3,(H,14,16);1-2H3.
What are the key properties of N-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane?
N-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane has a molecular weight of 269.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane is sourced from PubChem (CID 145466645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).