1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine

C28H16F21N3 — CID 59157266

IUPAC1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
SMILESC/N=C(/c1ccc2c(c1)Cc1c(/C(=N/C)C(F)(F)C(F)(F)C(F)(F)F)cc(/C(=N/C)C(F)(F)C(F)(F)C(F)(F)F)cc1-2)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C28H16F21N3/c1-50-17(20(29,30)23(35,36)26(41,42)43)10-4-5-13-11(6-10)7-15-14(13)8-12(18(51-2)21(31,32)24(37,38)27(44,45)46)9-16(15)19(52-3)22(33,34)25(39,40)28(47,48)49/h4-6,8-9H,7H2,1-3H3/b50-17-,51-18-,52-19-
InChIKeyQQJZWAUALBFHOI-BPCXCYBASA-N
MW793.41 g/mol
LogP10.01
Rot. Bonds9

About 1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine

1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine (PubChem CID 59157266) has the molecular formula C28H16F21N3 and a molecular weight of 793.41 g/mol. Its IUPAC name is 1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine.

Molecular Properties

Compound Name1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
PubChem CID59157266
Molecular FormulaC28H16F21N3
Molecular Weight793.41 g/mol
Exact Mass793.10
IUPAC Name1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
SMILESC/N=C(/c1ccc2c(c1)Cc1c(/C(=N/C)C(F)(F)C(F)(F)C(F)(F)F)cc(/C(=N/C)C(F)(F)C(F)(F)C(F)(F)F)cc1-2)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C28H16F21N3/c1-50-17(20(29,30)23(35,36)26(41,42)43)10-4-5-13-11(6-10)7-15-14(13)8-12(18(51-2)21(31,32)24(37,38)27(44,45)46)9-16(15)19(52-3)22(33,34)25(39,40)28(47,48)49/h4-6,8-9H,7H2,1-3H3/b50-17-,51-18-,52-19-
InChIKeyQQJZWAUALBFHOI-BPCXCYBASA-N
XLogP10.01
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.41
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine?
The IUPAC name of 1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine (CID 59157266) is 1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine.
What is the SMILES notation for 1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine?
The canonical SMILES for 1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine is C/N=C(/c1ccc2c(c1)Cc1c(/C(=N/C)C(F)(F)C(F)(F)C(F)(F)F)cc(/C(=N/C)C(F)(F)C(F)(F)C(F)(F)F)cc1-2)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine?
The InChIKey is QQJZWAUALBFHOI-BPCXCYBASA-N. The full InChI is InChI=1S/C28H16F21N3/c1-50-17(20(29,30)23(35,36)26(41,42)43)10-4-5-13-11(6-10)7-15-14(13)8-12(18(51-2)21(31,32)24(37,38)27(44,45)46)9-16(15)19(52-3)22(33,34)25(39,40)28(47,48)49/h4-6,8-9H,7H2,1-3H3/b50-17-,51-18-,52-19-.
What are the key properties of 1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine?
1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine has a molecular weight of 793.41 g/mol, XLogP of 10.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine is sourced from PubChem (CID 59157266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).