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

C10H18F3NO2 — CID 79204653

IUPAC4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C10H18F3NO2/c1-8(2)6-14(7-10(11,12)13)9(16)4-3-5-15/h8,15H,3-7H2,1-2H3
InChIKeyCAULOBONUBWFNP-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.81
Rot. Bonds6

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

4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79204653) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79204653
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C10H18F3NO2/c1-8(2)6-14(7-10(11,12)13)9(16)4-3-5-15/h8,15H,3-7H2,1-2H3
InChIKeyCAULOBONUBWFNP-UHFFFAOYSA-N
XLogP1.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(N-Methyl-trifluoroacetamido)-1-butanol
CID 10512190
N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide
CID 87922265
4-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 54875573
4-(Hydroxymethyl)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-one
CID 64207967
4,4,4-Trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 65711171
4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide
CID 65995137
4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide
CID 66107979
4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 78882936
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
4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 79192272

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide (CID 79204653) is 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide is CC(C)CN(CC(F)(F)F)C(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is CAULOBONUBWFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-8(2)6-14(7-10(11,12)13)9(16)4-3-5-15/h8,15H,3-7H2,1-2H3.
What are the key properties of 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 241.25 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79204653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).