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

C8H5F10N — CID 134996532

IUPAC(E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine
SMILES[H]/N=C(C(\C)=C\C(F)(F)C(F)(F)F)/C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F10N/c1-3(2-5(9,10)7(13,14)15)4(19)6(11,12)8(16,17)18/h2,19H,1H3/b3-2+,19-4+
InChIKeySFLVETBKONDNLP-AOQWUMTISA-N
MW305.12 g/mol
LogP4.35
Rot. Bonds3

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

(E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine (PubChem CID 134996532) has the molecular formula C8H5F10N and a molecular weight of 305.12 g/mol. Its IUPAC name is (E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine.

Molecular Properties

Compound Name(E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine
PubChem CID134996532
Molecular FormulaC8H5F10N
Molecular Weight305.12 g/mol
Exact Mass305.03
IUPAC Name(E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine
SMILES[H]/N=C(C(\C)=C\C(F)(F)C(F)(F)F)/C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F10N/c1-3(2-5(9,10)7(13,14)15)4(19)6(11,12)8(16,17)18/h2,19H,1H3/b3-2+,19-4+
InChIKeySFLVETBKONDNLP-AOQWUMTISA-N
XLogP4.35
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 54.35
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'}

Analyze (E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine with MolForge

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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-triacontafluoro-9-methylheptadec-9-en-8-imine
CID 134932493
(E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine
CID 134996458
1-Cyclohexa-1,4-dien-1-yl-2,2,2-trifluoroethanimine
CID 123220668
1-Cyclohexa-1,2,4-trien-1-yl-2,2,2-trifluoroethanimine
CID 123283269
5-Methyl-3,4-bis(trifluoromethyl)hepta-3,5-dien-2-imine
CID 123298954
(E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine
CID 123634361
(E)-4-(difluoromethyl)hex-4-en-3-imine
CID 145086064
3,5-Bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine
CID 163897844
(5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine
CID 166925117
(4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine
CID 145152058
(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine
CID 145646809
(4E)-2,4-dimethylhexa-1,4-dien-3-imine
CID 147664125

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine?
The IUPAC name of (E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine (CID 134996532) is (E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine.
What is the SMILES notation for (E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine?
The canonical SMILES for (E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine is [H]/N=C(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-decafluoro-4-methylhept-4-en-3-imine?
The InChIKey is SFLVETBKONDNLP-AOQWUMTISA-N. The full InChI is InChI=1S/C8H5F10N/c1-3(2-5(9,10)7(13,14)15)4(19)6(11,12)8(16,17)18/h2,19H,1H3/b3-2+,19-4+.
What are the key properties of (E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine?
(E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine has a molecular weight of 305.12 g/mol, XLogP of 4.35, 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-decafluoro-4-methylhept-4-en-3-imine is sourced from PubChem (CID 134996532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).