N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide

C8H14F3NO3 — CID 139631475

IUPACN-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide
SMILESCC(=O)NC(C(C)C)C(O)(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-4(2)6(12-5(3)13)7(14,15)8(9,10)11/h4,6,14-15H,1-3H3,(H,12,13)
InChIKeyCQMUDDFKHDNFSF-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.39
Rot. Bonds3

About N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide

N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide (PubChem CID 139631475) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide
PubChem CID139631475
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC NameN-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide
SMILESCC(=O)NC(C(C)C)C(O)(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-4(2)6(12-5(3)13)7(14,15)8(9,10)11/h4,6,14-15H,1-3H3,(H,12,13)
InChIKeyCQMUDDFKHDNFSF-UHFFFAOYSA-N
XLogP0.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 21743803
N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 58879224
N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 58879225
2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246688
(R)-2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 86622344
2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide
CID 87841020
2,2,2-trifluoro-N-[(3S)-2-hydroxy-2-methylpentan-3-yl]acetamide
CID 124171567
2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide
CID 131175842
2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide
CID 169194149
2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide
CID 10846908
3,3,3-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247486
2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66179672

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide?
The IUPAC name of N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide (CID 139631475) is N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide.
What is the SMILES notation for N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide?
The canonical SMILES for N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide is CC(=O)NC(C(C)C)C(O)(O)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide?
The InChIKey is CQMUDDFKHDNFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-4(2)6(12-5(3)13)7(14,15)8(9,10)11/h4,6,14-15H,1-3H3,(H,12,13).
What are the key properties of N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide?
N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide has a molecular weight of 229.20 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide is sourced from PubChem (CID 139631475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).