N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide

C8H14F3NO — CID 91360587

IUPACN-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide
SMILESCCC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-4-7(2,3)5-12-6(13)8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyKBXMTIDJOZPHGY-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.10
Rot. Bonds3

About N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide

N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide (PubChem CID 91360587) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide
PubChem CID91360587
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide
SMILESCCC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-4-7(2,3)5-12-6(13)8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyKBXMTIDJOZPHGY-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Butyltrifluoroacetamide
CID 283366
Pentafluoropropanamide, N-3-methylbutyl-
CID 91727024
2,2,2-Trifluoro-N-isopentylacetamide
CID 544344
2,2,2-Trifluoro-N-(2-methylbutyl)acetamide
CID 581466
N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide
CID 3326094
N-butyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 4236019
N-Butyl-2,2-difluoroacetamide
CID 13896436
N-[(2S)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742933
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide
CID 15742935
2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 20329250
2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide
CID 57042289

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide (CID 91360587) is N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide is CCC(C)(C)CNC(=O)C(F)(F)F.
What is the InChIKey of N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide?
The InChIKey is KBXMTIDJOZPHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-4-7(2,3)5-12-6(13)8(9,10)11/h4-5H2,1-3H3,(H,12,13).
What are the key properties of N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide?
N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide has a molecular weight of 197.20 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 91360587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).