2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine

C11H21F3N2O — CID 103388999

IUPAC2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine
SMILESCC(CN)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-8(6-15)16-9-3-2-4-10(5-9)17-7-11(12,13)14/h8-10,16H,2-7,15H2,1H3
InChIKeyPUDDLLDBDVKDPI-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.81
Rot. Bonds5

About 2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine

2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine (PubChem CID 103388999) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine
PubChem CID103388999
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine
SMILESCC(CN)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-8(6-15)16-9-3-2-4-10(5-9)17-7-11(12,13)14/h8-10,16H,2-7,15H2,1H3
InChIKeyPUDDLLDBDVKDPI-UHFFFAOYSA-N
XLogP1.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine?
The IUPAC name of 2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine (CID 103388999) is 2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine is CC(CN)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine?
The InChIKey is PUDDLLDBDVKDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8(6-15)16-9-3-2-4-10(5-9)17-7-11(12,13)14/h8-10,16H,2-7,15H2,1H3.
What are the key properties of 2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine?
2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine is sourced from PubChem (CID 103388999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).