(E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine

C8H11F3N2 — CID 142933118

IUPAC(E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine
SMILESC=C/C(=N\C=C(/C)NC)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-4-7(8(9,10)11)13-5-6(2)12-3/h4-5,12H,1H2,2-3H3/b6-5+,13-7+
InChIKeyUIGUHJKEJASFBK-WOXAVFRBSA-N
MW192.18 g/mol
LogP2.26
Rot. Bonds3

About (E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine

(E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine (PubChem CID 142933118) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine.

Molecular Properties

Compound Name(E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine
PubChem CID142933118
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name(E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine
SMILESC=C/C(=N\C=C(/C)NC)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-4-7(8(9,10)11)13-5-6(2)12-3/h4-5,12H,1H2,2-3H3/b6-5+,13-7+
InChIKeyUIGUHJKEJASFBK-WOXAVFRBSA-N
XLogP2.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine
CID 88890689
(Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine
CID 126672163
2-[(Z)-4,4-difluorobut-1-enyl]iminobut-3-en-1-amine
CID 132157969
(Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine
CID 138628399
ethyl-[(Z)-4,4,4-trifluoro-3-iminobut-1-enyl]azanium
CID 142308476
(Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine
CID 143342121
(Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine
CID 156890367
(Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine
CID 168935654
4,4-Difluoro-3-methyliminobut-1-en-1-amine
CID 173976808
3-(1,1-Difluoropropan-2-ylimino)but-1-en-1-amine
CID 174073351
(E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine
CID 176533038
(Z)-4,4-difluoro-3-propan-2-yliminobut-1-en-1-amine
CID 177328085

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine?
The IUPAC name of (E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine (CID 142933118) is (E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine.
What is the SMILES notation for (E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine?
The canonical SMILES for (E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine is C=C/C(=N\C=C(/C)NC)C(F)(F)F.
What is the InChIKey of (E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine?
The InChIKey is UIGUHJKEJASFBK-WOXAVFRBSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-4-7(8(9,10)11)13-5-6(2)12-3/h4-5,12H,1H2,2-3H3/b6-5+,13-7+.
What are the key properties of (E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine?
(E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine has a molecular weight of 192.18 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine is sourced from PubChem (CID 142933118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).