9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene

C29H16Br2F8O2 — CID 18956469

IUPAC9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene
SMILESFC(F)(Br)C(F)(F)Oc1ccc(C2(c3ccc(OC(F)(F)C(F)(F)Br)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H16Br2F8O2/c30-26(32,33)28(36,37)40-19-13-9-17(10-14-19)25(18-11-15-20(16-12-18)41-29(38,39)27(31,34)35)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16H
InChIKeyRTRLSYRRXGONCN-UHFFFAOYSA-N
MW708.24 g/mol
LogP9.97
Rot. Bonds8

About 9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene

9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene (PubChem CID 18956469) has the molecular formula C29H16Br2F8O2 and a molecular weight of 708.24 g/mol. Its IUPAC name is 9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene.

Molecular Properties

Compound Name9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene
PubChem CID18956469
Molecular FormulaC29H16Br2F8O2
Molecular Weight708.24 g/mol
Exact Mass705.94
IUPAC Name9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene
SMILESFC(F)(Br)C(F)(F)Oc1ccc(C2(c3ccc(OC(F)(F)C(F)(F)Br)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H16Br2F8O2/c30-26(32,33)28(36,37)40-19-13-9-17(10-14-19)25(18-11-15-20(16-12-18)41-29(38,39)27(31,34)35)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16H
InChIKeyRTRLSYRRXGONCN-UHFFFAOYSA-N
XLogP9.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.24
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene
CID 3764404
9H-Fluorene-9,9-diyldi-4,1-phenylene dicyanate
CID 2832082
tFPO-CF2-3HitFB
CID 71811618
tFPO-CF2-2tFB
CID 71811620
5-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene
CID 71811658
tFPO-CF2-2HidFP
CID 71811659
tFPO-CF2-4HidFP
CID 117962228
tFPO-CF2-MetFB
CID 117962235
tFPO-CF2-3HiFP
CID 117962305
tFPO-CF2-4HiFP
CID 117962306
tFPO-CF2-2HiFP
CID 117962317
tFPO-CF2-HitFB
CID 118687154

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene?
The IUPAC name of 9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene (CID 18956469) is 9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene.
What is the SMILES notation for 9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene?
The canonical SMILES for 9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene is FC(F)(Br)C(F)(F)Oc1ccc(C2(c3ccc(OC(F)(F)C(F)(F)Br)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene?
The InChIKey is RTRLSYRRXGONCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16Br2F8O2/c30-26(32,33)28(36,37)40-19-13-9-17(10-14-19)25(18-11-15-20(16-12-18)41-29(38,39)27(31,34)35)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16H.
What are the key properties of 9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene?
9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene has a molecular weight of 708.24 g/mol, XLogP of 9.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]fluorene is sourced from PubChem (CID 18956469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).