N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide

C12H20F3NO2 — CID 79193338

IUPACN-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CCCCO
InChIInChI=1S/C12H20F3NO2/c1-9(10-5-6-10)16(8-12(13,14)15)11(18)4-2-3-7-17/h9-10,17H,2-8H2,1H3
InChIKeyQUBVMQUBXCXUKU-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.34
Rot. Bonds7

About N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide

N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 79193338) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID79193338
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CCCCO
InChIInChI=1S/C12H20F3NO2/c1-9(10-5-6-10)16(8-12(13,14)15)11(18)4-2-3-7-17/h9-10,17H,2-8H2,1H3
InChIKeyQUBVMQUBXCXUKU-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide (CID 79193338) is N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide is CC(C1CC1)N(CC(F)(F)F)C(=O)CCCCO.
What is the InChIKey of N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is QUBVMQUBXCXUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-9(10-5-6-10)16(8-12(13,14)15)11(18)4-2-3-7-17/h9-10,17H,2-8H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 267.29 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 79193338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).