N'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine

C12H23F3N2O — CID 55242198

IUPACN'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
SMILESNCCN(CCOCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H23F3N2O/c13-12(14,15)10-18-9-8-17(7-6-16)11-4-2-1-3-5-11/h11H,1-10,16H2
InChIKeyCLDUMFRXNHBAJN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds7

About N'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine

N'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine (PubChem CID 55242198) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
PubChem CID55242198
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
SMILESNCCN(CCOCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H23F3N2O/c13-12(14,15)10-18-9-8-17(7-6-16)11-4-2-1-3-5-11/h11H,1-10,16H2
InChIKeyCLDUMFRXNHBAJN-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine (CID 55242198) is N'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine is NCCN(CCOCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine?
The InChIKey is CLDUMFRXNHBAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c13-12(14,15)10-18-9-8-17(7-6-16)11-4-2-1-3-5-11/h11H,1-10,16H2.
What are the key properties of N'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine?
N'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 55242198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).