6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile

C9H14F3NO2 — CID 103375866

IUPAC6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile
SMILESCC(C#N)(CCCC(F)(F)F)OCCO
InChIInChI=1S/C9H14F3NO2/c1-8(7-13,15-6-5-14)3-2-4-9(10,11)12/h14H,2-6H2,1H3
InChIKeyFXWPNKCTHUIUCO-UHFFFAOYSA-N
MW225.21 g/mol
LogP2.01
Rot. Bonds6

About 6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile

6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile (PubChem CID 103375866) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile.

Molecular Properties

Compound Name6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile
PubChem CID103375866
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile
SMILESCC(C#N)(CCCC(F)(F)F)OCCO
InChIInChI=1S/C9H14F3NO2/c1-8(7-13,15-6-5-14)3-2-4-9(10,11)12/h14H,2-6H2,1H3
InChIKeyFXWPNKCTHUIUCO-UHFFFAOYSA-N
XLogP2.01
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile?
The IUPAC name of 6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile (CID 103375866) is 6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile.
What is the SMILES notation for 6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile?
The canonical SMILES for 6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile is CC(C#N)(CCCC(F)(F)F)OCCO.
What is the InChIKey of 6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile?
The InChIKey is FXWPNKCTHUIUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-8(7-13,15-6-5-14)3-2-4-9(10,11)12/h14H,2-6H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile?
6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile has a molecular weight of 225.21 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-(2-hydroxyethoxy)-2-methylhexanenitrile is sourced from PubChem (CID 103375866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).