2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile

C11H17F3N2O — CID 63828405

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCCOCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)8-17-6-5-16-10-4-2-1-3-9(10)7-15/h9-10,16H,1-6,8H2
InChIKeyAZAAUVCTAROVKG-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.24
Rot. Bonds5

About 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile

2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile (PubChem CID 63828405) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile
PubChem CID63828405
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCCOCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)8-17-6-5-16-10-4-2-1-3-9(10)7-15/h9-10,16H,1-6,8H2
InChIKeyAZAAUVCTAROVKG-UHFFFAOYSA-N
XLogP2.24
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 106365355
2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
CID 62742040
trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol
CID 102733487
2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
2-(2-methylsulfanylethylamino)cycloheptane-1-carbonitrile
CID 63965986
2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62879600
2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile
CID 106675432
2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62880782
2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62743682
2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile
CID 115903557
2-[2-(3-methylphenoxy)ethylamino]cyclohexane-1-carbonitrile
CID 62741177

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile (CID 63828405) is 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile is N#CC1CCCCC1NCCOCC(F)(F)F.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile?
The InChIKey is AZAAUVCTAROVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)8-17-6-5-16-10-4-2-1-3-9(10)7-15/h9-10,16H,1-6,8H2.
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile?
2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 63828405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).