4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

C8H17F3N2O — CID 65377803

IUPAC4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCOCCC(C)(CN)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-7(5-12,3-4-14-2)13-6-8(9,10)11/h13H,3-6,12H2,1-2H3
InChIKeyDLRMQKAXUXGKQN-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.89
Rot. Bonds6

About 4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (PubChem CID 65377803) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
PubChem CID65377803
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCOCCC(C)(CN)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-7(5-12,3-4-14-2)13-6-8(9,10)11/h13H,3-6,12H2,1-2H3
InChIKeyDLRMQKAXUXGKQN-UHFFFAOYSA-N
XLogP0.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (CID 65377803) is 4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is COCCC(C)(CN)NCC(F)(F)F.
What is the InChIKey of 4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The InChIKey is DLRMQKAXUXGKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-7(5-12,3-4-14-2)13-6-8(9,10)11/h13H,3-6,12H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine has a molecular weight of 214.23 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is sourced from PubChem (CID 65377803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).