6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine

C13H25F3N2O — CID 114466706

IUPAC6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
SMILESC=C(C)COCCNC(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-11(2)9-19-8-7-18-12(3,10-17)5-4-6-13(14,15)16/h18H,1,4-10,17H2,2-3H3
InChIKeyHMUMIGKVQJTEHS-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.62
Rot. Bonds10

About 6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine

6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine (PubChem CID 114466706) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
PubChem CID114466706
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
SMILESC=C(C)COCCNC(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-11(2)9-19-8-7-18-12(3,10-17)5-4-6-13(14,15)16/h18H,1,4-10,17H2,2-3H3
InChIKeyHMUMIGKVQJTEHS-UHFFFAOYSA-N
XLogP2.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,6,6-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]hexan-2-amine
CID 113586410
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 114466306
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 114466438
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103563190
1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 103563191
2-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 108422717
2-ethyl-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 113589228
2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]heptane-1,2-diamine
CID 113589253
2,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 113589295
3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 114200861
2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
CID 114466164
2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466208

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine (CID 114466706) is 6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine is C=C(C)COCCNC(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine?
The InChIKey is HMUMIGKVQJTEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-11(2)9-19-8-7-18-12(3,10-17)5-4-6-13(14,15)16/h18H,1,4-10,17H2,2-3H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine?
6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine is sourced from PubChem (CID 114466706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).