2-cyclopentyl-6,6,6-trifluorohexanenitrile

C11H16F3N — CID 58329728

IUPAC2-cyclopentyl-6,6,6-trifluorohexanenitrile
SMILESN#CC(CCCC(F)(F)F)C1CCCC1
InChIInChI=1S/C11H16F3N/c12-11(13,14)7-3-6-10(8-15)9-4-1-2-5-9/h9-10H,1-7H2
InChIKeyLHUHTKFBJHFKHS-UHFFFAOYSA-N
MW219.25 g/mol
LogP4.05
Rot. Bonds4

About 2-cyclopentyl-6,6,6-trifluorohexanenitrile

2-cyclopentyl-6,6,6-trifluorohexanenitrile (PubChem CID 58329728) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-cyclopentyl-6,6,6-trifluorohexanenitrile.

Molecular Properties

Compound Name2-cyclopentyl-6,6,6-trifluorohexanenitrile
PubChem CID58329728
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name2-cyclopentyl-6,6,6-trifluorohexanenitrile
SMILESN#CC(CCCC(F)(F)F)C1CCCC1
InChIInChI=1S/C11H16F3N/c12-11(13,14)7-3-6-10(8-15)9-4-1-2-5-9/h9-10H,1-7H2
InChIKeyLHUHTKFBJHFKHS-UHFFFAOYSA-N
XLogP4.05
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6,6,6-trifluorohexanenitrile?
The IUPAC name of 2-cyclopentyl-6,6,6-trifluorohexanenitrile (CID 58329728) is 2-cyclopentyl-6,6,6-trifluorohexanenitrile.
What is the SMILES notation for 2-cyclopentyl-6,6,6-trifluorohexanenitrile?
The canonical SMILES for 2-cyclopentyl-6,6,6-trifluorohexanenitrile is N#CC(CCCC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-6,6,6-trifluorohexanenitrile?
The InChIKey is LHUHTKFBJHFKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c12-11(13,14)7-3-6-10(8-15)9-4-1-2-5-9/h9-10H,1-7H2.
What are the key properties of 2-cyclopentyl-6,6,6-trifluorohexanenitrile?
2-cyclopentyl-6,6,6-trifluorohexanenitrile has a molecular weight of 219.25 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6,6,6-trifluorohexanenitrile is sourced from PubChem (CID 58329728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).