N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide

C8H14F3NO — CID 15742935

IUPACN-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C8H14F3NO/c1-5(7(2,3)4)12-6(13)8(9,10)11/h5H,1-4H3,(H,12,13)
InChIKeyGQWXVNZQPVNPGR-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.10
Rot. Bonds1

About N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide

N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 15742935) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide
PubChem CID15742935
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C8H14F3NO/c1-5(7(2,3)4)12-6(13)8(9,10)11/h5H,1-4H3,(H,12,13)
InChIKeyGQWXVNZQPVNPGR-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

2,2,2-Trifluoro-N-isopropylacetamide
CID 2305253
N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide
CID 87159632
N-[(2R)-1,1,1-trifluorobutan-2-yl]acetamide
CID 121358070
N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide
CID 121358074
N-butan-2-yl-2,2,2-trifluoroacetamide
CID 587638
Acetamide, N-(1,2,2-trimethylpropyl)-
CID 9793813
Acetamide, N-[(1R)-1,2,2-trimethylpropyl]-
CID 11116174
N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
CID 11205812
N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide
CID 3326094
N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 3588417
N-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
CID 3630421
Acetamide, N-(1-ethylpropyl)-2,2,2-trifluoro-
CID 592909

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide (CID 15742935) is N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide is CC(NC(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is GQWXVNZQPVNPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-5(7(2,3)4)12-6(13)8(9,10)11/h5H,1-4H3,(H,12,13).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide?
N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 197.20 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15742935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).