1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

C12H21F3N2 — CID 55073819

IUPAC1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCCC(CNC1CC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H21F3N2/c1-2-10(7-16-9-3-4-9)17(11-5-6-11)8-12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyJYQFIFOOTUMJJC-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.54
Rot. Bonds7

About 1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (PubChem CID 55073819) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
PubChem CID55073819
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCCC(CNC1CC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H21F3N2/c1-2-10(7-16-9-3-4-9)17(11-5-6-11)8-12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyJYQFIFOOTUMJJC-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The IUPAC name of 1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (CID 55073819) is 1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is CCC(CNC1CC1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The InChIKey is JYQFIFOOTUMJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-2-10(7-16-9-3-4-9)17(11-5-6-11)8-12(13,14)15/h9-11,16H,2-8H2,1H3.
What are the key properties of 1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine has a molecular weight of 250.31 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is sourced from PubChem (CID 55073819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).