2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C9H17F3N2 — CID 114996124

IUPAC2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCN(CC(F)(F)F)C(C)(CN)C1CC1
InChIInChI=1S/C9H17F3N2/c1-8(5-13,7-3-4-7)14(2)6-9(10,11)12/h7H,3-6,13H2,1-2H3
InChIKeyTUJPFFVGLYOCKS-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.61
Rot. Bonds4

About 2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 114996124) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID114996124
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCN(CC(F)(F)F)C(C)(CN)C1CC1
InChIInChI=1S/C9H17F3N2/c1-8(5-13,7-3-4-7)14(2)6-9(10,11)12/h7H,3-6,13H2,1-2H3
InChIKeyTUJPFFVGLYOCKS-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 114996124) is 2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CN(CC(F)(F)F)C(C)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is TUJPFFVGLYOCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-8(5-13,7-3-4-7)14(2)6-9(10,11)12/h7H,3-6,13H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 114996124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).