3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile

C11H17F3N2O — CID 103367240

IUPAC3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile
SMILESN#CC(CNC1(CO)CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)9(6-15)7-16-10(8-17)4-2-1-3-5-10/h9,16-17H,1-5,7-8H2
InChIKeyRONAHXRWFCEGCA-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.97
Rot. Bonds4

About 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile (PubChem CID 103367240) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile
PubChem CID103367240
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile
SMILESN#CC(CNC1(CO)CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)9(6-15)7-16-10(8-17)4-2-1-3-5-10/h9,16-17H,1-5,7-8H2
InChIKeyRONAHXRWFCEGCA-UHFFFAOYSA-N
XLogP1.97
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,2-Difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile
CID 176724764
[1-[3-(2,2,2-Trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55082079
2-Cyclohexyl-2-((2,2,2-trifluoroethyl)amino)propan-1-ol
CID 56794360
[3,3,5-Trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044737
[1-(2,2,2-Trifluoroethylamino)cyclohexyl]methanol
CID 61044738
2-Ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61044923
[4-Propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045105
[4-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045108
[2-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61046016
[3-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61046195
2-Cyclohexyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 61046571
[4-Ethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61047317

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile (CID 103367240) is 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile is N#CC(CNC1(CO)CCCCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile?
The InChIKey is RONAHXRWFCEGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)9(6-15)7-16-10(8-17)4-2-1-3-5-10/h9,16-17H,1-5,7-8H2.
What are the key properties of 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile has a molecular weight of 250.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile is sourced from PubChem (CID 103367240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).