4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide

C9H16F3NO3 — CID 134308779

IUPAC4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C)(C(=O)NO)C(C)(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-5(2)7(3,6(14)13-16)8(4,15)9(10,11)12/h5,15-16H,1-4H3,(H,13,14)
InChIKeyHARNLRSGLWPZJH-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.47
Rot. Bonds3

About 4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide

4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide (PubChem CID 134308779) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide
PubChem CID134308779
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C)(C(=O)NO)C(C)(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-5(2)7(3,6(14)13-16)8(4,15)9(10,11)12/h5,15-16H,1-4H3,(H,13,14)
InChIKeyHARNLRSGLWPZJH-UHFFFAOYSA-N
XLogP1.47
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-hydroxypropanamide
CID 130495228
2,2-difluoro-N-propan-2-ylpropanamide
CID 130495307
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
[2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate
CID 177282568
2,2-difluoro-3-methyl-N-propan-2-ylbutanamide
CID 170077230
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol
CID 18943158
carbamic acid;2,2-difluoro-3-methylbutane
CID 161455862
3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 164555722
(2S)-2-hydroxy-3-methylbutan-2-olate
CID 59952741
2,4,5,5-tetramethyl-4-propan-2-ylhexan-3-one
CID 13379788
2,2,3-trimethyl-3-propan-2-ylheptan-4-one
CID 170848971

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide (CID 134308779) is 4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide is CC(C)C(C)(C(=O)NO)C(C)(O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide?
The InChIKey is HARNLRSGLWPZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-5(2)7(3,6(14)13-16)8(4,15)9(10,11)12/h5,15-16H,1-4H3,(H,13,14).
What are the key properties of 4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide?
4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide has a molecular weight of 243.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 134308779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).