2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine

C11H23F3N2O — CID 62010380

IUPAC2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine
SMILESCCC(C)(CN)N(C)CCCOCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-4-10(2,8-15)16(3)6-5-7-17-9-11(12,13)14/h4-9,15H2,1-3H3
InChIKeyCJMSBQSOIGFDQE-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.01
Rot. Bonds8

About 2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine

2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine (PubChem CID 62010380) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine
PubChem CID62010380
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine
SMILESCCC(C)(CN)N(C)CCCOCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-4-10(2,8-15)16(3)6-5-7-17-9-11(12,13)14/h4-9,15H2,1-3H3
InChIKeyCJMSBQSOIGFDQE-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.01
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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Related Compounds

2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine
CID 106450923
2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine
CID 116535393
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106705978
2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
CID 62010161
2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
CID 115638162
2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 55106535
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine
CID 176560194
N-(2-bromoethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-3-amine
CID 80691150

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine (CID 62010380) is 2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine is CCC(C)(CN)N(C)CCCOCC(F)(F)F.
What is the InChIKey of 2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine?
The InChIKey is CJMSBQSOIGFDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-4-10(2,8-15)16(3)6-5-7-17-9-11(12,13)14/h4-9,15H2,1-3H3.
What are the key properties of 2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine?
2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine has a molecular weight of 256.31 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine is sourced from PubChem (CID 62010380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).