1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine

C10H19F3N2O — CID 79459074

IUPAC1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine
SMILESNC1CCCC(NCCOCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)7-16-5-4-15-9-3-1-2-8(14)6-9/h8-9,15H,1-7,14H2
InChIKeyFPUISHNPRBJANS-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.42
Rot. Bonds5

About 1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine

1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine (PubChem CID 79459074) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine
PubChem CID79459074
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine
SMILESNC1CCCC(NCCOCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)7-16-5-4-15-9-3-1-2-8(14)6-9/h8-9,15H,1-7,14H2
InChIKeyFPUISHNPRBJANS-UHFFFAOYSA-N
XLogP1.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-aminocyclohexyl)amino]ethyl carbamate
CID 83202906
tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
CID 103720230
1-N-(3-methoxypropyl)cyclohexane-1,3-diamine
CID 79458917
2-[(3-aminocyclohexyl)amino]ethanol
CID 79459217
1-N-propylcyclohexane-1,3-diamine
CID 22026573
trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol
CID 102733487
1-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]azepan-4-amine
CID 65078240
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 103080784
N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine
CID 114158070
1-N-(3-cyclohexyloxypropyl)cyclohexane-1,3-diamine
CID 79458447
1-N-(4-propan-2-yloxybutyl)cyclohexane-1,3-diamine
CID 106007565
N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62951710

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine (CID 79459074) is 1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine is NC1CCCC(NCCOCC(F)(F)F)C1.
What is the InChIKey of 1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine?
The InChIKey is FPUISHNPRBJANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)7-16-5-4-15-9-3-1-2-8(14)6-9/h8-9,15H,1-7,14H2.
What are the key properties of 1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine?
1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79459074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).