1,1,1,3-tetrafluorobut-3-en-2-imine

C4H3F4N — CID 139373150

IUPAC1,1,1,3-tetrafluorobut-3-en-2-imine
SMILES[H]/N=C(\C(=C)F)C(F)(F)F
InChIInChI=1S/C4H3F4N/c1-2(5)3(9)4(6,7)8/h9H,1H2/b9-3+
InChIKeyBHUTVOWQWYLXEJ-YCRREMRBSA-N
MW141.07 g/mol
LogP2.05
Rot. Bonds1

About 1,1,1,3-tetrafluorobut-3-en-2-imine

1,1,1,3-tetrafluorobut-3-en-2-imine (PubChem CID 139373150) has the molecular formula C4H3F4N and a molecular weight of 141.07 g/mol. Its IUPAC name is 1,1,1,3-tetrafluorobut-3-en-2-imine.

Molecular Properties

Compound Name1,1,1,3-tetrafluorobut-3-en-2-imine
PubChem CID139373150
Molecular FormulaC4H3F4N
Molecular Weight141.07 g/mol
Exact Mass141.02
IUPAC Name1,1,1,3-tetrafluorobut-3-en-2-imine
SMILES[H]/N=C(\C(=C)F)C(F)(F)F
InChIInChI=1S/C4H3F4N/c1-2(5)3(9)4(6,7)8/h9H,1H2/b9-3+
InChIKeyBHUTVOWQWYLXEJ-YCRREMRBSA-N
XLogP2.05
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.07
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,5,5-tetramethylhexane-3,4-diimine
CID 21281613
N-[(Z)-(4,4,4-trifluoro-3-iminobutan-2-ylidene)amino]methanamine
CID 59444700
astatane;2,3,3,3-tetrafluoroprop-1-ene
CID 174875947
2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride
CID 174047890
methyl (Z)-3-hydroxy-2-(2,2,2-trifluoroethanimidoyl)but-2-enoate
CID 171703353
6-fluoro-4,5-diimino-3,6-dimethylhept-1-ene-2-thiol
CID 166723628
1,2,2,2-tetrafluoroethylidenecopper
CID 175040157
ethyl 3-ethyl-2-(2,2,2-trifluoroethanimidoyl)pent-2-enoate
CID 172593050
methyl 3-hydroxy-4-methoxy-2-(2,2,2-trifluoroethanimidoyl)but-2-enoate
CID 135540738
(3E)-5,5,5-trifluoro-3-[hydroxy(phenyl)methylidene]-4-iminopentan-2-one
CID 135400356
methyl (E)-3-hydroxy-4-methoxy-2-(2,2,2-trifluoroethanimidoyl)but-2-enoate
CID 135451154
ethene;3,4,4,4-tetrafluorobuta-1,2-diene
CID 175238449

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetrafluorobut-3-en-2-imine?
The IUPAC name of 1,1,1,3-tetrafluorobut-3-en-2-imine (CID 139373150) is 1,1,1,3-tetrafluorobut-3-en-2-imine.
What is the SMILES notation for 1,1,1,3-tetrafluorobut-3-en-2-imine?
The canonical SMILES for 1,1,1,3-tetrafluorobut-3-en-2-imine is [H]/N=C(\C(=C)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluorobut-3-en-2-imine?
The InChIKey is BHUTVOWQWYLXEJ-YCRREMRBSA-N. The full InChI is InChI=1S/C4H3F4N/c1-2(5)3(9)4(6,7)8/h9H,1H2/b9-3+.
What are the key properties of 1,1,1,3-tetrafluorobut-3-en-2-imine?
1,1,1,3-tetrafluorobut-3-en-2-imine has a molecular weight of 141.07 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrafluorobut-3-en-2-imine is sourced from PubChem (CID 139373150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).