2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile

C10H15F3N2 — CID 147560295

IUPAC2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile
SMILESN#CCC1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2/c11-10(12,13)7-15-9-3-1-8(2-4-9)5-6-14/h8-9,15H,1-5,7H2
InChIKeyFSMOIAVINJAUQX-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.61
Rot. Bonds3

About 2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile

2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile (PubChem CID 147560295) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile
PubChem CID147560295
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile
SMILESN#CCC1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2/c11-10(12,13)7-15-9-3-1-8(2-4-9)5-6-14/h8-9,15H,1-5,7H2
InChIKeyFSMOIAVINJAUQX-UHFFFAOYSA-N
XLogP2.61
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile?
The IUPAC name of 2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile (CID 147560295) is 2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile is N#CCC1CCC(NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile?
The InChIKey is FSMOIAVINJAUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c11-10(12,13)7-15-9-3-1-8(2-4-9)5-6-14/h8-9,15H,1-5,7H2.
What are the key properties of 2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile?
2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile has a molecular weight of 220.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile is sourced from PubChem (CID 147560295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).