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

C6H11F3N2 — CID 162555616

IUPAC(Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine
SMILESCC(N)/C=C\NCC(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-5(10)2-3-11-4-6(7,8)9/h2-3,5,11H,4,10H2,1H3/b3-2-
InChIKeyJOVZXNTVJRIONJ-IHWYPQMZSA-N
MW168.16 g/mol
LogP1.00
Rot. Bonds3

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

(Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine (PubChem CID 162555616) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is (Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine
PubChem CID162555616
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name(Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine
SMILESCC(N)/C=C\NCC(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-5(10)2-3-11-4-6(7,8)9/h2-3,5,11H,4,10H2,1H3/b3-2-
InChIKeyJOVZXNTVJRIONJ-IHWYPQMZSA-N
XLogP1.00
TPSA38.05 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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine?
The IUPAC name of (Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine (CID 162555616) is (Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine?
The canonical SMILES for (Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine is CC(N)/C=C\NCC(F)(F)F.
What is the InChIKey of (Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine?
The InChIKey is JOVZXNTVJRIONJ-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H11F3N2/c1-5(10)2-3-11-4-6(7,8)9/h2-3,5,11H,4,10H2,1H3/b3-2-.
What are the key properties of (Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine?
(Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine has a molecular weight of 168.16 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine is sourced from PubChem (CID 162555616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).