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

C8H14F3NO2 — CID 103723188

IUPAC3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
SMILESCC(C)CC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(2)3-7(14)12-4-6(13)8(9,10)11/h5-6,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyLUDRDTMQHMROBC-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.07
Rot. Bonds4

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

3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide (PubChem CID 103723188) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
PubChem CID103723188
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
SMILESCC(C)CC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(2)3-7(14)12-4-6(13)8(9,10)11/h5-6,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyLUDRDTMQHMROBC-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The IUPAC name of 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide (CID 103723188) is 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide.
What is the SMILES notation for 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The canonical SMILES for 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide is CC(C)CC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The InChIKey is LUDRDTMQHMROBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-5(2)3-7(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 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
3-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 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide is sourced from PubChem (CID 103723188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).