1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile

C11H17F3N2 — CID 60998904

IUPAC1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCCCCCC1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)9-16-10(8-15)6-4-2-1-3-5-7-10/h16H,1-7,9H2
InChIKeyZJUWKIMOWJHLIJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.14
Rot. Bonds2

About 1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile

1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile (PubChem CID 60998904) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile
PubChem CID60998904
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCCCCCC1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)9-16-10(8-15)6-4-2-1-3-5-7-10/h16H,1-7,9H2
InChIKeyZJUWKIMOWJHLIJ-UHFFFAOYSA-N
XLogP3.14
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile (CID 60998904) is 1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile is N#CC1(NCC(F)(F)F)CCCCCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile?
The InChIKey is ZJUWKIMOWJHLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c12-11(13,14)9-16-10(8-15)6-4-2-1-3-5-7-10/h16H,1-7,9H2.
What are the key properties of 1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile?
1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylamino)cyclooctane-1-carbonitrile is sourced from PubChem (CID 60998904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).