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

C5H9F3N2 — CID 146185975

IUPAC(Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine
SMILESCN/C(C)=C(\N)C(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-3(10-2)4(9)5(6,7)8/h10H,9H2,1-2H3/b4-3-
InChIKeyAIQCYTDLSRPAMD-ARJAWSKDSA-N
MW154.13 g/mol
LogP0.96
Rot. Bonds1

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

(Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine (PubChem CID 146185975) has the molecular formula C5H9F3N2 and a molecular weight of 154.13 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine
PubChem CID146185975
Molecular FormulaC5H9F3N2
Molecular Weight154.13 g/mol
Exact Mass154.07
IUPAC Name(Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine
SMILESCN/C(C)=C(\N)C(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-3(10-2)4(9)5(6,7)8/h10H,9H2,1-2H3/b4-3-
InChIKeyAIQCYTDLSRPAMD-ARJAWSKDSA-N
XLogP0.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine
CID 130243443
1,1-difluoro-N-methylprop-1-en-2-amine
CID 132032621
(E)-2-fluoro-1-N-methylbut-2-ene-1,3-diamine
CID 146384600
(E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine
CID 146392671
(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine
CID 154953461
(E)-1,1,1-trifluoro-N-methylbut-2-en-2-amine
CID 155041332
(Z)-1,1,1,4,4,4-hexafluoro-2-N,3-N-dimethylbut-2-ene-2,3-diamine
CID 156143436
(E)-4,4,4-trifluoro-N-methylbut-2-en-2-amine
CID 163756148
Methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium
CID 163824018
(E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine
CID 170067381
(Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine
CID 177327776
(Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine
CID 143529088

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine?
The IUPAC name of (Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine (CID 146185975) is (Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine?
The canonical SMILES for (Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine is CN/C(C)=C(\N)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine?
The InChIKey is AIQCYTDLSRPAMD-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9F3N2/c1-3(10-2)4(9)5(6,7)8/h10H,9H2,1-2H3/b4-3-.
What are the key properties of (Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine?
(Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine has a molecular weight of 154.13 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine is sourced from PubChem (CID 146185975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).