2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide

C8H14F3NO2 — CID 103723054

IUPAC2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
SMILESCCC(C)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-5(2)7(14)12-4-6(13)8(9,10)11/h5-6,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyJVNIYCYUZXVZKR-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.07
Rot. Bonds4

About 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide

2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide (PubChem CID 103723054) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
PubChem CID103723054
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
SMILESCCC(C)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-5(2)7(14)12-4-6(13)8(9,10)11/h5-6,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyJVNIYCYUZXVZKR-UHFFFAOYSA-N
XLogP1.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Xylariamide
CID 102222778
N-(2-hydroxyethyl) isovaleramide
CID 23588480
N-(2-hydroxy-3-methylbutyl)-3,3-dimethylbutanamide
CID 71916902
(2R)-2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 10942889
2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 57208486
2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 57278446
N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 59473950
2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide
CID 60999629
2,2,2-trifluoro-N-[(2R)-2-hydroxypropyl]acetamide
CID 83029968
2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 88970157
2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)-2-methylpropanamide
CID 89228546
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103723042

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide (CID 103723054) is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide is CCC(C)C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The InChIKey is JVNIYCYUZXVZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-3-5(2)7(14)12-4-6(13)8(9,10)11/h5-6,13H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide has a molecular weight of 213.20 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide is sourced from PubChem (CID 103723054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).