3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide

C11H17F6NO2 — CID 106115884

IUPAC3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide
SMILESCCCC(CCO)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c1-2-3-7(4-5-19)6-18-9(20)8(10(12,13)14)11(15,16)17/h7-8,19H,2-6H2,1H3,(H,18,20)
InChIKeyXPOLWYCOPBDEBY-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.64
Rot. Bonds7

About 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide (PubChem CID 106115884) has the molecular formula C11H17F6NO2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide
PubChem CID106115884
Molecular FormulaC11H17F6NO2
Molecular Weight309.25 g/mol
Exact Mass309.12
IUPAC Name3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide
SMILESCCCC(CCO)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c1-2-3-7(4-5-19)6-18-9(20)8(10(12,13)14)11(15,16)17/h7-8,19H,2-6H2,1H3,(H,18,20)
InChIKeyXPOLWYCOPBDEBY-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide (CID 106115884) is 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide is CCCC(CCO)CNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide?
The InChIKey is XPOLWYCOPBDEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO2/c1-2-3-7(4-5-19)6-18-9(20)8(10(12,13)14)11(15,16)17/h7-8,19H,2-6H2,1H3,(H,18,20).
What are the key properties of 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide has a molecular weight of 309.25 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 106115884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).