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

C15H25F3N2 — CID 63465459

IUPAC1-(2,2,2-trifluoroethylamino)cyclododecane-1-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCCCCCCCCCC1
InChIInChI=1S/C15H25F3N2/c16-15(17,18)13-20-14(12-19)10-8-6-4-2-1-3-5-7-9-11-14/h20H,1-11,13H2
InChIKeyPWRZRCRGPUHYRR-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.71
Rot. Bonds2

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

1-(2,2,2-trifluoroethylamino)cyclododecane-1-carbonitrile (PubChem CID 63465459) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylamino)cyclododecane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylamino)cyclododecane-1-carbonitrile
PubChem CID63465459
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name1-(2,2,2-trifluoroethylamino)cyclododecane-1-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCCCCCCCCCC1
InChIInChI=1S/C15H25F3N2/c16-15(17,18)13-20-14(12-19)10-8-6-4-2-1-3-5-7-9-11-14/h20H,1-11,13H2
InChIKeyPWRZRCRGPUHYRR-UHFFFAOYSA-N
XLogP4.71
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.71
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)cyclododecane-1-carbonitrile?
The IUPAC name of 1-(2,2,2-trifluoroethylamino)cyclododecane-1-carbonitrile (CID 63465459) is 1-(2,2,2-trifluoroethylamino)cyclododecane-1-carbonitrile.
What is the SMILES notation for 1-(2,2,2-trifluoroethylamino)cyclododecane-1-carbonitrile?
The canonical SMILES for 1-(2,2,2-trifluoroethylamino)cyclododecane-1-carbonitrile is N#CC1(NCC(F)(F)F)CCCCCCCCCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylamino)cyclododecane-1-carbonitrile?
The InChIKey is PWRZRCRGPUHYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c16-15(17,18)13-20-14(12-19)10-8-6-4-2-1-3-5-7-9-11-14/h20H,1-11,13H2.
What are the key properties of 1-(2,2,2-trifluoroethylamino)cyclododecane-1-carbonitrile?
1-(2,2,2-trifluoroethylamino)cyclododecane-1-carbonitrile has a molecular weight of 290.37 g/mol, XLogP of 4.71, 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)cyclododecane-1-carbonitrile is sourced from PubChem (CID 63465459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).