3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine

C9H19F3N2 — CID 63982622

IUPAC3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)C(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-5-8(2,3)14(4)7(6-13)9(10,11)12/h7H,5-6,13H2,1-4H3
InChIKeyQZVOPMAIINNHHS-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.00
Rot. Bonds4

About 3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine

3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine (PubChem CID 63982622) has the molecular formula C9H19F3N2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
PubChem CID63982622
Molecular FormulaC9H19F3N2
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC Name3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)C(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-5-8(2,3)14(4)7(6-13)9(10,11)12/h7H,5-6,13H2,1-4H3
InChIKeyQZVOPMAIINNHHS-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The IUPAC name of 3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine (CID 63982622) is 3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The canonical SMILES for 3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine is CCC(C)(C)N(C)C(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The InChIKey is QZVOPMAIINNHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2/c1-5-8(2,3)14(4)7(6-13)9(10,11)12/h7H,5-6,13H2,1-4H3.
What are the key properties of 3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine?
3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine has a molecular weight of 212.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 63982622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).