N,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide

C11H17F6NO2 — CID 58823599

IUPACN,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide
SMILESCCNC(=O)C(C)(CC)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c1-4-8(3,7(19)18-5-2)6-9(20,10(12,13)14)11(15,16)17/h20H,4-6H2,1-3H3,(H,18,19)
InChIKeyHUDNUEKIBBYCKM-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.78
Rot. Bonds5

About N,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide

N,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide (PubChem CID 58823599) has the molecular formula C11H17F6NO2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide.

Molecular Properties

Compound NameN,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide
PubChem CID58823599
Molecular FormulaC11H17F6NO2
Molecular Weight309.25 g/mol
Exact Mass309.12
IUPAC NameN,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide
SMILESCCNC(=O)C(C)(CC)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c1-4-8(3,7(19)18-5-2)6-9(20,10(12,13)14)11(15,16)17/h20H,4-6H2,1-3H3,(H,18,19)
InChIKeyHUDNUEKIBBYCKM-UHFFFAOYSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide?
The IUPAC name of N,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide (CID 58823599) is N,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide.
What is the SMILES notation for N,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide?
The canonical SMILES for N,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide is CCNC(=O)C(C)(CC)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide?
The InChIKey is HUDNUEKIBBYCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO2/c1-4-8(3,7(19)18-5-2)6-9(20,10(12,13)14)11(15,16)17/h20H,4-6H2,1-3H3,(H,18,19).
What are the key properties of N,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide?
N,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide has a molecular weight of 309.25 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide is sourced from PubChem (CID 58823599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).