(E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine

C7H3F10N — CID 134992781

IUPAC(E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine
SMILES[H]/N=C(\C=C\C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F10N/c8-4(9,6(12,13)14)2-1-3(18)5(10,11)7(15,16)17/h1-2,18H/b2-1+,18-3+
InChIKeyRTBBKNSAAGUVPG-WWEGOMNESA-N
MW291.09 g/mol
LogP3.96
Rot. Bonds3

About (E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine

(E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine (PubChem CID 134992781) has the molecular formula C7H3F10N and a molecular weight of 291.09 g/mol. Its IUPAC name is (E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine.

Molecular Properties

Compound Name(E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine
PubChem CID134992781
Molecular FormulaC7H3F10N
Molecular Weight291.09 g/mol
Exact Mass291.01
IUPAC Name(E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine
SMILES[H]/N=C(\C=C\C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F10N/c8-4(9,6(12,13)14)2-1-3(18)5(10,11)7(15,16)17/h1-2,18H/b2-1+,18-3+
InChIKeyRTBBKNSAAGUVPG-WWEGOMNESA-N
XLogP3.96
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine
CID 134932491
(E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine
CID 134992734
4,4,5,5-Tetrafluorocyclohex-2-en-1-imine
CID 91331313
(Z)-1,1,1-trifluorohept-4-en-3-imine
CID 132023695
2,3,4,4,5-Pentafluorocyclopent-2-en-1-imine
CID 154400515
4,4,5,5,6,6,6-Heptafluorohex-1-en-3-imine
CID 154520155

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine?
The IUPAC name of (E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine (CID 134992781) is (E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine.
What is the SMILES notation for (E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine?
The canonical SMILES for (E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine is [H]/N=C(\C=C\C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine?
The InChIKey is RTBBKNSAAGUVPG-WWEGOMNESA-N. The full InChI is InChI=1S/C7H3F10N/c8-4(9,6(12,13)14)2-1-3(18)5(10,11)7(15,16)17/h1-2,18H/b2-1+,18-3+.
What are the key properties of (E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine?
(E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine has a molecular weight of 291.09 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine is sourced from PubChem (CID 134992781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).