N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide

C11H19F4NO2 — CID 14594592

IUPACN,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide
SMILESCCCC(O)C(F)(C(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C11H19F4NO2/c1-4-7-8(17)10(12,11(13,14)15)9(18)16(5-2)6-3/h8,17H,4-7H2,1-3H3
InChIKeyPLGXSQKCPDAKAT-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.29
Rot. Bonds6

About N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide

N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide (PubChem CID 14594592) has the molecular formula C11H19F4NO2 and a molecular weight of 273.27 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide
PubChem CID14594592
Molecular FormulaC11H19F4NO2
Molecular Weight273.27 g/mol
Exact Mass273.14
IUPAC NameN,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide
SMILESCCCC(O)C(F)(C(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C11H19F4NO2/c1-4-7-8(17)10(12,11(13,14)15)9(18)16(5-2)6-3/h8,17H,4-7H2,1-3H3
InChIKeyPLGXSQKCPDAKAT-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide?
The IUPAC name of N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide (CID 14594592) is N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide.
What is the SMILES notation for N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide?
The canonical SMILES for N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide is CCCC(O)C(F)(C(=O)N(CC)CC)C(F)(F)F.
What is the InChIKey of N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide?
The InChIKey is PLGXSQKCPDAKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO2/c1-4-7-8(17)10(12,11(13,14)15)9(18)16(5-2)6-3/h8,17H,4-7H2,1-3H3.
What are the key properties of N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide?
N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide has a molecular weight of 273.27 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide is sourced from PubChem (CID 14594592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).