ethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile

C13H23F3N2 — CID 145395144

IUPACethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile
SMILESCC.CN(CC(F)(F)F)C1CCC(CC#N)CC1
InChIInChI=1S/C11H17F3N2.C2H6/c1-16(8-11(12,13)14)10-4-2-9(3-5-10)6-7-15;1-2/h9-10H,2-6,8H2,1H3;1-2H3
InChIKeyUORJUHPMHKXURK-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.98
Rot. Bonds3

About ethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile

ethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile (PubChem CID 145395144) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile.

Molecular Properties

Compound Nameethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile
PubChem CID145395144
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Nameethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile
SMILESCC.CN(CC(F)(F)F)C1CCC(CC#N)CC1
InChIInChI=1S/C11H17F3N2.C2H6/c1-16(8-11(12,13)14)10-4-2-9(3-5-10)6-7-15;1-2/h9-10H,2-6,8H2,1H3;1-2H3
InChIKeyUORJUHPMHKXURK-UHFFFAOYSA-N
XLogP3.98
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile?
The IUPAC name of ethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile (CID 145395144) is ethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile.
What is the SMILES notation for ethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile?
The canonical SMILES for ethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile is CC.CN(CC(F)(F)F)C1CCC(CC#N)CC1.
What is the InChIKey of ethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile?
The InChIKey is UORJUHPMHKXURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2.C2H6/c1-16(8-11(12,13)14)10-4-2-9(3-5-10)6-7-15;1-2/h9-10H,2-6,8H2,1H3;1-2H3.
What are the key properties of ethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile?
ethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile has a molecular weight of 264.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile is sourced from PubChem (CID 145395144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).