2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C10H21F3N2 — CID 62428588

IUPAC2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCN(CC(F)(F)F)C(C)CNC(C)C
InChIInChI=1S/C10H21F3N2/c1-5-15(7-10(11,12)13)9(4)6-14-8(2)3/h8-9,14H,5-7H2,1-4H3
InChIKeyQPXJVSZTGOFBLN-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.26
Rot. Bonds6

About 2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62428588) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62428588
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC Name2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCN(CC(F)(F)F)C(C)CNC(C)C
InChIInChI=1S/C10H21F3N2/c1-5-15(7-10(11,12)13)9(4)6-14-8(2)3/h8-9,14H,5-7H2,1-4H3
InChIKeyQPXJVSZTGOFBLN-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62428588) is 2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CCN(CC(F)(F)F)C(C)CNC(C)C.
What is the InChIKey of 2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is QPXJVSZTGOFBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-5-15(7-10(11,12)13)9(4)6-14-8(2)3/h8-9,14H,5-7H2,1-4H3.
What are the key properties of 2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62428588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).