N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide

C8H14F3NO — CID 58090057

IUPACN-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide
SMILESCC(C)(C)CCNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(2,3)4-5-12-6(13)8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyPOIHEQWRWJCFRQ-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.10
Rot. Bonds2

About N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide

N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide (PubChem CID 58090057) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide
PubChem CID58090057
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide
SMILESCC(C)(C)CCNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(2,3)4-5-12-6(13)8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyPOIHEQWRWJCFRQ-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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
2,2,2-Trifluoro-n-propylacetamide
CID 580996
Acetamide, 2,2,2-trifluoro-N-(2-methylpropyl)-
CID 581281
N-(3,3,3-trifluoropropyl)acetamide
CID 59218642
N-(4-Methylpentyl)-2,2,2-trifluoroacetamide
CID 62727488
N-butyl-2,2-difluoropropanamide
CID 88580779
Pentafluoropropanamide, N-3-methylbutyl-
CID 91727024
2,2,2-Trifluoro-N-isopentylacetamide
CID 544344
2,2,2-Trifluoro-N-(2-methylbutyl)acetamide
CID 581466
4-Methyl-4-(trifluoromethyl)pyrrolidin-2-one
CID 105433259
N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide
CID 3326094
3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide
CID 3516856

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide (CID 58090057) is N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide is CC(C)(C)CCNC(=O)C(F)(F)F.
What is the InChIKey of N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide?
The InChIKey is POIHEQWRWJCFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(2,3)4-5-12-6(13)8(9,10)11/h4-5H2,1-3H3,(H,12,13).
What are the key properties of N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide?
N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide has a molecular weight of 197.20 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58090057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).