1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane

C9H21F3N2 — CID 171816861

IUPAC1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane
SMILESCC.CNCC(C)(C)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2.C2H6/c1-6(2,4-11-3)12-5-7(8,9)10;1-2/h11-12H,4-5H2,1-3H3;1-2H3
InChIKeyOGSGKPLMEDMUON-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.16
Rot. Bonds4

About 1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane

1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane (PubChem CID 171816861) has the molecular formula C9H21F3N2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane.

Molecular Properties

Compound Name1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane
PubChem CID171816861
Molecular FormulaC9H21F3N2
Molecular Weight214.27 g/mol
Exact Mass214.17
IUPAC Name1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane
SMILESCC.CNCC(C)(C)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2.C2H6/c1-6(2,4-11-3)12-5-7(8,9)10;1-2/h11-12H,4-5H2,1-3H3;1-2H3
InChIKeyOGSGKPLMEDMUON-UHFFFAOYSA-N
XLogP2.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane?
The IUPAC name of 1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane (CID 171816861) is 1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane.
What is the SMILES notation for 1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane?
The canonical SMILES for 1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane is CC.CNCC(C)(C)NCC(F)(F)F.
What is the InChIKey of 1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane?
The InChIKey is OGSGKPLMEDMUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2.C2H6/c1-6(2,4-11-3)12-5-7(8,9)10;1-2/h11-12H,4-5H2,1-3H3;1-2H3.
What are the key properties of 1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane?
1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane has a molecular weight of 214.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane is sourced from PubChem (CID 171816861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).