N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

C9H14F3NO2 — CID 79192200

IUPACN-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESO=C(CCCO)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-13(7-3-4-7)8(15)2-1-5-14/h7,14H,1-6H2
InChIKeyJGWZNLHHMYPZGB-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.31
Rot. Bonds5

About N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79192200) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79192200
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESO=C(CCCO)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-13(7-3-4-7)8(15)2-1-5-14/h7,14H,1-6H2
InChIKeyJGWZNLHHMYPZGB-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorocyclopropyl)-4-hydroxy-N-propylbutanamide
CID 58375868
N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide
CID 87922265
4-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 61605707
N-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butanamide
CID 65710968
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-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 79192363
N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79200377
4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79203920
4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79204250
N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204331
4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79204494

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (CID 79192200) is N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is O=C(CCCO)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is JGWZNLHHMYPZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)6-13(7-3-4-7)8(15)2-1-5-14/h7,14H,1-6H2.
What are the key properties of N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 225.21 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79192200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).