(Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine

C5H9F3N2 — CID 126727990

IUPAC(Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine
SMILESCNC(/C=C\N)C(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-10-4(2-3-9)5(6,7)8/h2-4,10H,9H2,1H3/b3-2-
InChIKeyYJGMYXJTICGSAX-IHWYPQMZSA-N
MW154.13 g/mol
LogP0.61
Rot. Bonds2

About (Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine

(Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine (PubChem CID 126727990) has the molecular formula C5H9F3N2 and a molecular weight of 154.13 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine
PubChem CID126727990
Molecular FormulaC5H9F3N2
Molecular Weight154.13 g/mol
Exact Mass154.07
IUPAC Name(Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine
SMILESCNC(/C=C\N)C(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-10-4(2-3-9)5(6,7)8/h2-4,10H,9H2,1H3/b3-2-
InChIKeyYJGMYXJTICGSAX-IHWYPQMZSA-N
XLogP0.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine?
The IUPAC name of (Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine (CID 126727990) is (Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine?
The canonical SMILES for (Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine is CNC(/C=C\N)C(F)(F)F.
What is the InChIKey of (Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine?
The InChIKey is YJGMYXJTICGSAX-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H9F3N2/c1-10-4(2-3-9)5(6,7)8/h2-4,10H,9H2,1H3/b3-2-.
What are the key properties of (Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine?
(Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine has a molecular weight of 154.13 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine is sourced from PubChem (CID 126727990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).