(3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine

C8H15F3N2 — CID 130291195

IUPAC(3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine
SMILESC=C([C@@H](C)N)N(CC)CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-4-13(5-8(9,10)11)7(3)6(2)12/h6H,3-5,12H2,1-2H3/t6-/m1/s1
InChIKeyOYFFOIOFJGFSBM-ZCFIWIBFSA-N
MW196.22 g/mol
LogP1.73
Rot. Bonds4

About (3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine

(3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine (PubChem CID 130291195) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine.

Molecular Properties

Compound Name(3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine
PubChem CID130291195
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name(3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine
SMILESC=C([C@@H](C)N)N(CC)CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-4-13(5-8(9,10)11)7(3)6(2)12/h6H,3-5,12H2,1-2H3/t6-/m1/s1
InChIKeyOYFFOIOFJGFSBM-ZCFIWIBFSA-N
XLogP1.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine?
The IUPAC name of (3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine (CID 130291195) is (3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine.
What is the SMILES notation for (3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine?
The canonical SMILES for (3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine is C=C([C@@H](C)N)N(CC)CC(F)(F)F.
What is the InChIKey of (3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine?
The InChIKey is OYFFOIOFJGFSBM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-4-13(5-8(9,10)11)7(3)6(2)12/h6H,3-5,12H2,1-2H3/t6-/m1/s1.
What are the key properties of (3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine?
(3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine has a molecular weight of 196.22 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine is sourced from PubChem (CID 130291195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).