N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide

C8H14F3NO — CID 15742934

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
SMILESC[C@@H](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)/t5-/m1/s1
InChIKeyGQWXVNZQPVNPGR-RXMQYKEDSA-N
MW197.20 g/mol
LogP2.10
Rot. Bonds1

About N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide

N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 15742934) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID15742934
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
SMILESC[C@@H](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)/t5-/m1/s1
InChIKeyGQWXVNZQPVNPGR-RXMQYKEDSA-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-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide
CID 141004071
2,2,2-trifluoro-N-(1-iodoethyl)acetamide
CID 22138228
N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide
CID 153456545
N-but-3-yn-2-yl-2,2,2-trifluoroacetamide
CID 14025442
2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide
CID 125476431
2,2,2-trifluoro-N-[(2R)-2-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 7038847
4-(3,3-dimethylbutan-2-ylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 104827527
3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 104828391
1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonic acid;hydrochloride
CID 88792540
1-tert-butyl-3-[(2S)-3,3-dimethylbutan-2-yl]urea
CID 159105073
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)propanamide
CID 103794874

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide (CID 15742934) is N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide is C[C@@H](NC(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is GQWXVNZQPVNPGR-RXMQYKEDSA-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)/t5-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide?
N-[(2R)-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-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15742934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).