2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine

C8H17F3N2 — CID 139551790

IUPAC2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine
SMILESCCC(C)(NC)NC(C)C(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-5-7(3,12-4)13-6(2)8(9,10)11/h6,12-13H,5H2,1-4H3
InChIKeyCTGHNQXQTPFNNJ-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.87
Rot. Bonds4

About 2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine

2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine (PubChem CID 139551790) has the molecular formula C8H17F3N2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine
PubChem CID139551790
Molecular FormulaC8H17F3N2
Molecular Weight198.23 g/mol
Exact Mass198.13
IUPAC Name2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine
SMILESCCC(C)(NC)NC(C)C(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-5-7(3,12-4)13-6(2)8(9,10)11/h6,12-13H,5H2,1-4H3
InChIKeyCTGHNQXQTPFNNJ-UHFFFAOYSA-N
XLogP1.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine?
The IUPAC name of 2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine (CID 139551790) is 2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine?
The canonical SMILES for 2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine is CCC(C)(NC)NC(C)C(F)(F)F.
What is the InChIKey of 2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine?
The InChIKey is CTGHNQXQTPFNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2/c1-5-7(3,12-4)13-6(2)8(9,10)11/h6,12-13H,5H2,1-4H3.
What are the key properties of 2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine?
2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine has a molecular weight of 198.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N'-(1,1,1-trifluoropropan-2-yl)butane-2,2-diamine is sourced from PubChem (CID 139551790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).