N-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide

C12H22F3NO2 — CID 103915481

IUPACN-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(CC(=O)N(CCO)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H22F3NO2/c1-9(11(2,3)4)7-10(18)16(5-6-17)8-12(13,14)15/h9,17H,5-8H2,1-4H3
InChIKeyLIPSQKUPOLZPJJ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.44
Rot. Bonds5

About N-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide

N-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 103915481) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID103915481
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC NameN-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(CC(=O)N(CCO)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H22F3NO2/c1-9(11(2,3)4)7-10(18)16(5-6-17)8-12(13,14)15/h9,17H,5-8H2,1-4H3
InChIKeyLIPSQKUPOLZPJJ-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of N-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 103915481) is N-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide is CC(CC(=O)N(CCO)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is LIPSQKUPOLZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-9(11(2,3)4)7-10(18)16(5-6-17)8-12(13,14)15/h9,17H,5-8H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
N-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 269.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 103915481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).