4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide

C9H16F3NO2 — CID 79205169

IUPAC4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C9H16F3NO2/c1-7(2)13(6-9(10,11)12)8(15)4-3-5-14/h7,14H,3-6H2,1-2H3
InChIKeyQOMISXIGAVFDBR-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.56
Rot. Bonds5

About 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide

4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79205169) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79205169
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C9H16F3NO2/c1-7(2)13(6-9(10,11)12)8(15)4-3-5-14/h7,14H,3-6H2,1-2H3
InChIKeyQOMISXIGAVFDBR-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(N-Methyl-trifluoroacetamido)-1-butanol
CID 10512190
N-(2-fluorocyclopropyl)-4-hydroxy-N-propylbutanamide
CID 58375868
N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide
CID 87922265
3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 61039024
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutanamide
CID 65710967
4,4,4-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylbutanamide
CID 65710976
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutanamide
CID 65711166
N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79192046
4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 79192115
N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 79192199
N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79192200
4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 79192272

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 79205169) is 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)N(CC(F)(F)F)C(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is QOMISXIGAVFDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7(2)13(6-9(10,11)12)8(15)4-3-5-14/h7,14H,3-6H2,1-2H3.
What are the key properties of 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 227.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79205169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).