(2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate

C29H10BF11O3 — CID 139978253

IUPAC(2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate
SMILESFc1ccc(OB(Oc2c(F)c(F)c(F)c3c2Cc2cccc(F)c2-3)Oc2ccc(F)c3c(F)c(F)c(F)cc23)c(F)c1F
InChIInChI=1S/C29H10BF11O3/c31-13-3-1-2-10-8-12-21(19(10)13)26(39)27(40)28(41)29(12)44-30(43-18-7-5-15(33)22(35)24(18)37)42-17-6-4-14(32)20-11(17)9-16(34)23(36)25(20)38/h1-7,9H,8H2
InChIKeyODFUSZDTLBKWOR-UHFFFAOYSA-N
MW626.19 g/mol
LogP8.46
Rot. Bonds6

About (2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate

(2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate (PubChem CID 139978253) has the molecular formula C29H10BF11O3 and a molecular weight of 626.19 g/mol. Its IUPAC name is (2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate.

Molecular Properties

Compound Name(2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate
PubChem CID139978253
Molecular FormulaC29H10BF11O3
Molecular Weight626.19 g/mol
Exact Mass626.05
IUPAC Name(2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate
SMILESFc1ccc(OB(Oc2c(F)c(F)c(F)c3c2Cc2cccc(F)c2-3)Oc2ccc(F)c3c(F)c(F)c(F)cc23)c(F)c1F
InChIInChI=1S/C29H10BF11O3/c31-13-3-1-2-10-8-12-21(19(10)13)26(39)27(40)28(41)29(12)44-30(43-18-7-5-15(33)22(35)24(18)37)42-17-6-4-14(32)20-11(17)9-16(34)23(36)25(20)38/h1-7,9H,8H2
InChIKeyODFUSZDTLBKWOR-UHFFFAOYSA-N
XLogP8.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.19
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) borate
CID 151654204
(5,6,7,8-tetrafluoronaphthalen-1-yl) (4,5,7-trifluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate
CID 139978246
(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl) (2,3,4,5,6-pentafluorophenyl) (4,5,6-trifluoronaphthalen-1-yl) borate
CID 152520108
(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane
CID 141052328
bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane
CID 141042869
(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl) (4,5,6-trifluoronaphthalen-1-yl) borate
CID 172700054
(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)oxyborane
CID 141042448
(2,3,4,5,10-pentafluoroanthracen-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-(2,3,4-trifluorophenoxy)borane
CID 141042602
(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid
CID 141052266
(2,4-difluorophenyl) bis[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluoronaphthalen-1-yl)naphthalen-1-yl] borate
CID 139989723
(4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid
CID 141042463
O-(2,3,4-trifluoro-9H-fluoren-1-yl)hydroxylamine
CID 150641353

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate?
The IUPAC name of (2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate (CID 139978253) is (2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate.
What is the SMILES notation for (2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate?
The canonical SMILES for (2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate is Fc1ccc(OB(Oc2c(F)c(F)c(F)c3c2Cc2cccc(F)c2-3)Oc2ccc(F)c3c(F)c(F)c(F)cc23)c(F)c1F.
What is the InChIKey of (2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate?
The InChIKey is ODFUSZDTLBKWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H10BF11O3/c31-13-3-1-2-10-8-12-21(19(10)13)26(39)27(40)28(41)29(12)44-30(43-18-7-5-15(33)22(35)24(18)37)42-17-6-4-14(32)20-11(17)9-16(34)23(36)25(20)38/h1-7,9H,8H2.
What are the key properties of (2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate?
(2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate has a molecular weight of 626.19 g/mol, XLogP of 8.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate is sourced from PubChem (CID 139978253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).