N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

C11H18F3NO2 — CID 79200377

IUPACN-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C11H18F3NO2/c1-8(9-4-5-9)15(7-11(12,13)14)10(17)3-2-6-16/h8-9,16H,2-7H2,1H3
InChIKeyYWJWPBBDKBQSID-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.95
Rot. Bonds6

About N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79200377) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79200377
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC NameN-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C11H18F3NO2/c1-8(9-4-5-9)15(7-11(12,13)14)10(17)3-2-6-16/h8-9,16H,2-7H2,1H3
InChIKeyYWJWPBBDKBQSID-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.95
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-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 60662230
N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79192200
N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 79192363
N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 79193338
N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 79200378
N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204331
4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79204494
4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79204653
4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 79204967
4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 79205169

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (CID 79200377) is N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is CC(C1CC1)N(CC(F)(F)F)C(=O)CCCO.
What is the InChIKey of N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is YWJWPBBDKBQSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-8(9-4-5-9)15(7-11(12,13)14)10(17)3-2-6-16/h8-9,16H,2-7H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 253.26 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79200377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).