(Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane

C8H16F2N2 — CID 162721844

IUPAC(Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane
SMILESC/C(N)=C/C(C)=N/C(F)F.CC
InChIInChI=1S/C6H10F2N2.C2H6/c1-4(9)3-5(2)10-6(7)8;1-2/h3,6H,9H2,1-2H3;1-2H3/b4-3-,10-5+;
InChIKeyLPOOIRZQASORCO-HGMYAUDCSA-N
MW178.23 g/mol
LogP2.56
Rot. Bonds2

About (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane

(Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane (PubChem CID 162721844) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane.

Molecular Properties

Compound Name(Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane
PubChem CID162721844
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name(Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane
SMILESC/C(N)=C/C(C)=N/C(F)F.CC
InChIInChI=1S/C6H10F2N2.C2H6/c1-4(9)3-5(2)10-6(7)8;1-2/h3,6H,9H2,1-2H3;1-2H3/b4-3-,10-5+;
InChIKeyLPOOIRZQASORCO-HGMYAUDCSA-N
XLogP2.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-2-amino-4-(isobutylimino)pent-2-ene
CID 129807353
(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782155
5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560383
Copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene
CID 87979812
(Z)-1,1,5,5-tetrafluoro-4-methyliminopent-2-en-2-amine
CID 118408959
(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine
CID 123539659
(Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine
CID 126672163
(Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 137401028
(Z)-5,5,5-trifluoro-4-iminopent-2-en-2-amine
CID 138509620
(Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine
CID 138655022
(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane
CID 142374868
(3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine
CID 145084196

Frequently Asked Questions

What is the IUPAC name of (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane?
The IUPAC name of (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane (CID 162721844) is (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane.
What is the SMILES notation for (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane?
The canonical SMILES for (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane is C/C(N)=C/C(C)=N/C(F)F.CC.
What is the InChIKey of (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane?
The InChIKey is LPOOIRZQASORCO-HGMYAUDCSA-N. The full InChI is InChI=1S/C6H10F2N2.C2H6/c1-4(9)3-5(2)10-6(7)8;1-2/h3,6H,9H2,1-2H3;1-2H3/b4-3-,10-5+;.
What are the key properties of (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane?
(Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane has a molecular weight of 178.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane is sourced from PubChem (CID 162721844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).