ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide

C10H20F3NO — CID 164555835

IUPACethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC.CC(C)CNC(=O)C(C)C(F)(F)F
InChIInChI=1S/C8H14F3NO.C2H6/c1-5(2)4-12-7(13)6(3)8(9,10)11;1-2/h5-6H,4H2,1-3H3,(H,12,13);1-2H3
InChIKeyPPANPRZQFSZNMH-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.98
Rot. Bonds3

About ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide

ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 164555835) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Nameethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID164555835
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Nameethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC.CC(C)CNC(=O)C(C)C(F)(F)F
InChIInChI=1S/C8H14F3NO.C2H6/c1-5(2)4-12-7(13)6(3)8(9,10)11;1-2/h5-6H,4H2,1-3H3,(H,12,13);1-2H3
InChIKeyPPANPRZQFSZNMH-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Butanamide, N-(2-methylpropyl)-
CID 346250
n-Butyl-2-methylpropanamide
CID 221968
2,2,3,3,4,4,4-Heptafluoro-N-(2-methylpropyl)butanamide
CID 534742
N-Butyltrifluoroacetamide
CID 283366
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
2,2,2-Trifluoro-n-propylacetamide
CID 580996
Acetamide, 2,2,2-trifluoro-N-(2-methylpropyl)-
CID 581281
Propanamide, N-isobutyl-2,2-dimethyl
CID 528633
Acetamide, 2-fluoro-N-isobutyl-
CID 9733
N-(3-Methylbutyl)propanamide
CID 5152799
Propanamide, N-isobutyl
CID 347479
Propanamide, 2-methyl-N-propyl
CID 528627

Frequently Asked Questions

What is the IUPAC name of ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide (CID 164555835) is ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide is CC.CC(C)CNC(=O)C(C)C(F)(F)F.
What is the InChIKey of ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is PPANPRZQFSZNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO.C2H6/c1-5(2)4-12-7(13)6(3)8(9,10)11;1-2/h5-6H,4H2,1-3H3,(H,12,13);1-2H3.
What are the key properties of ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide?
ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 227.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 164555835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).