(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine

C6H11F3N2 — CID 154953461

IUPAC(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine
SMILESCCN/C=C(\NC)C(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-3-11-4-5(10-2)6(7,8)9/h4,10-11H,3H2,1-2H3/b5-4-
InChIKeyNGNMMIBMMSOTFH-PLNGDYQASA-N
MW168.16 g/mol
LogP1.22
Rot. Bonds3

About (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine

(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine (PubChem CID 154953461) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine
PubChem CID154953461
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine
SMILESCCN/C=C(\NC)C(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-3-11-4-5(10-2)6(7,8)9/h4,10-11H,3H2,1-2H3/b5-4-
InChIKeyNGNMMIBMMSOTFH-PLNGDYQASA-N
XLogP1.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine (CID 154953461) is (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine is CCN/C=C(\NC)C(F)(F)F.
What is the InChIKey of (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine?
The InChIKey is NGNMMIBMMSOTFH-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11F3N2/c1-3-11-4-5(10-2)6(7,8)9/h4,10-11H,3H2,1-2H3/b5-4-.
What are the key properties of (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine?
(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine has a molecular weight of 168.16 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine is sourced from PubChem (CID 154953461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).