(1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride

C12F25NO — CID 10484375

IUPAC(1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride
SMILESF/C(=N\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12F25NO/c13-1(39-12(36,37)8(26,27)4(18,19)6(22,23)10(31,32)33)38-11(34,35)7(24,25)3(16,17)2(14,15)5(20,21)9(28,29)30/b38-1+
InChIKeySNUUPMKZUWELOJ-CYIJWNJCSA-N
MW649.09 g/mol
LogP8.09
Rot. Bonds9

About (1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride

(1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride (PubChem CID 10484375) has the molecular formula C12F25NO and a molecular weight of 649.09 g/mol. Its IUPAC name is (1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride.

Molecular Properties

Compound Name(1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride
PubChem CID10484375
Molecular FormulaC12F25NO
Molecular Weight649.09 g/mol
Exact Mass648.96
IUPAC Name(1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride
SMILESF/C(=N\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12F25NO/c13-1(39-12(36,37)8(26,27)4(18,19)6(22,23)10(31,32)33)38-11(34,35)7(24,25)3(16,17)2(14,15)5(20,21)9(28,29)30/b38-1+
InChIKeySNUUPMKZUWELOJ-CYIJWNJCSA-N
XLogP8.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.09
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride with MolForge

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluoro-31-(1,2,2-trifluoroethenoxy)hentriacontane
CID 175893093
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane
CID 19837350
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylperoxy)heptane
CID 139654060
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl 2,2,2-trifluoroacetate
CID 11039479
bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) propanedioate
CID 162538080
bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl) but-2-enedioate
CID 173040296
bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)diazene
CID 139700095
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)decane
CID 18625066
1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene
CID 87663309
(1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride
CID 10032179
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tritriacontafluorohexadecyl 2-chloroacetate
CID 178076325
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluorotetradecyl prop-2-enoate
CID 20977299

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride?
The IUPAC name of (1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride (CID 10484375) is (1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride.
What is the SMILES notation for (1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride?
The canonical SMILES for (1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride is F/C(=N\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride?
The InChIKey is SNUUPMKZUWELOJ-CYIJWNJCSA-N. The full InChI is InChI=1S/C12F25NO/c13-1(39-12(36,37)8(26,27)4(18,19)6(22,23)10(31,32)33)38-11(34,35)7(24,25)3(16,17)2(14,15)5(20,21)9(28,29)30/b38-1+.
What are the key properties of (1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride?
(1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride has a molecular weight of 649.09 g/mol, XLogP of 8.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)methanimidoyl fluoride is sourced from PubChem (CID 10484375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).