2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene

C27H20F18 — CID 171920631

IUPAC2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCc1ccc2c(c1)Cc1cc(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1-2
InChIInChI=1S/C27H20F18/c28-20(29,22(32,33)24(36,37)26(40,41)42)9-1-3-14-5-7-18-16(11-14)13-17-12-15(6-8-19(17)18)4-2-10-21(30,31)23(34,35)25(38,39)27(43,44)45/h5-8,11-12H,1-4,9-10,13H2
InChIKeyFLRDVRLIBRFPNB-UHFFFAOYSA-N
MW686.42 g/mol
LogP10.84
Rot. Bonds12

About 2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene

2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene (PubChem CID 171920631) has the molecular formula C27H20F18 and a molecular weight of 686.42 g/mol. Its IUPAC name is 2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene.

Molecular Properties

Compound Name2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene
PubChem CID171920631
Molecular FormulaC27H20F18
Molecular Weight686.42 g/mol
Exact Mass686.13
IUPAC Name2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCc1ccc2c(c1)Cc1cc(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1-2
InChIInChI=1S/C27H20F18/c28-20(29,22(32,33)24(36,37)26(40,41)42)9-1-3-14-5-7-18-16(11-14)13-17-12-15(6-8-19(17)18)4-2-10-21(30,31)23(34,35)25(38,39)27(43,44)45/h5-8,11-12H,1-4,9-10,13H2
InChIKeyFLRDVRLIBRFPNB-UHFFFAOYSA-N
XLogP10.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.42
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene?
The IUPAC name of 2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene (CID 171920631) is 2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene.
What is the SMILES notation for 2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene?
The canonical SMILES for 2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCc1ccc2c(c1)Cc1cc(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1-2.
What is the InChIKey of 2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene?
The InChIKey is FLRDVRLIBRFPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F18/c28-20(29,22(32,33)24(36,37)26(40,41)42)9-1-3-14-5-7-18-16(11-14)13-17-12-15(6-8-19(17)18)4-2-10-21(30,31)23(34,35)25(38,39)27(43,44)45/h5-8,11-12H,1-4,9-10,13H2.
What are the key properties of 2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene?
2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene has a molecular weight of 686.42 g/mol, XLogP of 10.84, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-9H-fluorene is sourced from PubChem (CID 171920631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).