3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

C7H15F3N2 — CID 65379067

IUPAC3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCC(C)C(CN)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2/c1-5(2)6(3-11)12-4-7(8,9)10/h5-6,12H,3-4,11H2,1-2H3
InChIKeyJGLJESSUKKPKIT-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.12
Rot. Bonds4

About 3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (PubChem CID 65379067) has the molecular formula C7H15F3N2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
PubChem CID65379067
Molecular FormulaC7H15F3N2
Molecular Weight184.20 g/mol
Exact Mass184.12
IUPAC Name3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCC(C)C(CN)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2/c1-5(2)6(3-11)12-4-7(8,9)10/h5-6,12H,3-4,11H2,1-2H3
InChIKeyJGLJESSUKKPKIT-UHFFFAOYSA-N
XLogP1.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (CID 65379067) is 3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is CC(C)C(CN)NCC(F)(F)F.
What is the InChIKey of 3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The InChIKey is JGLJESSUKKPKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2/c1-5(2)6(3-11)12-4-7(8,9)10/h5-6,12H,3-4,11H2,1-2H3.
What are the key properties of 3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine has a molecular weight of 184.20 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is sourced from PubChem (CID 65379067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).