tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide

C28H16BF20- — CID 174225846

IUPACtetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide
SMILESCC1C(F)=C(F)C(F)=C(F)C1(F)[B-](C1(F)C(F)=C(F)C(F)=C(F)C1C)(C1(F)C(F)=C(F)C(F)=C(F)C1C)C1(F)C(F)=C(F)C(F)=C(F)C1C
InChIInChI=1S/C28H16BF20/c1-5-9(30)13(34)17(38)21(42)25(5,46)29(26(47)6(2)10(31)14(35)18(39)22(26)43,27(48)7(3)11(32)15(36)19(40)23(27)44)28(49)8(4)12(33)16(37)20(41)24(28)45/h5-8H,1-4H3/q-1
InChIKeyGDIKAKPIPUGEJZ-UHFFFAOYSA-N
MW743.21 g/mol
LogP12.23
Rot. Bonds4

About tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide

tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide (PubChem CID 174225846) has the molecular formula C28H16BF20- and a molecular weight of 743.21 g/mol. Its IUPAC name is tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide.

Molecular Properties

Compound Nametetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide
PubChem CID174225846
Molecular FormulaC28H16BF20-
Molecular Weight743.21 g/mol
Exact Mass743.10
IUPAC Nametetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide
SMILESCC1C(F)=C(F)C(F)=C(F)C1(F)[B-](C1(F)C(F)=C(F)C(F)=C(F)C1C)(C1(F)C(F)=C(F)C(F)=C(F)C1C)C1(F)C(F)=C(F)C(F)=C(F)C1C
InChIInChI=1S/C28H16BF20/c1-5-9(30)13(34)17(38)21(42)25(5,46)29(26(47)6(2)10(31)14(35)18(39)22(26)43,27(48)7(3)11(32)15(36)19(40)23(27)44)28(49)8(4)12(33)16(37)20(41)24(28)45/h5-8H,1-4H3/q-1
InChIKeyGDIKAKPIPUGEJZ-UHFFFAOYSA-N
XLogP12.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.21
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide with MolForge

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

Launch Full Analysis

Related Compounds

2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol
CID 21245995
1,2,3,3,4,4-hexafluoro-5-methylcyclopentene
CID 87084189
1,2,3,4,5,6-hexafluorocyclohexa-2,4-dien-1-ol
CID 175095832
(2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol
CID 70672909
5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene
CID 14024623
(2,3,4,5,6-pentafluoro-1-methylcyclohexa-2,4-dien-1-yl)-bis(2,3,4,5,6-pentafluorophenoxy)borane
CID 141371951
dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane
CID 57353025
CID 53425747
CID 53425747
2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol
CID 87325926
1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene
CID 15573718
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
1,2,3,3,4,5,6,6-octafluorocyclohexa-1,4-diene
CID 12697770

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide?
The IUPAC name of tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide (CID 174225846) is tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide.
What is the SMILES notation for tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide?
The canonical SMILES for tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide is CC1C(F)=C(F)C(F)=C(F)C1(F)[B-](C1(F)C(F)=C(F)C(F)=C(F)C1C)(C1(F)C(F)=C(F)C(F)=C(F)C1C)C1(F)C(F)=C(F)C(F)=C(F)C1C.
What is the InChIKey of tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide?
The InChIKey is GDIKAKPIPUGEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16BF20/c1-5-9(30)13(34)17(38)21(42)25(5,46)29(26(47)6(2)10(31)14(35)18(39)22(26)43,27(48)7(3)11(32)15(36)19(40)23(27)44)28(49)8(4)12(33)16(37)20(41)24(28)45/h5-8H,1-4H3/q-1.
What are the key properties of tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide?
tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide has a molecular weight of 743.21 g/mol, XLogP of 12.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide is sourced from PubChem (CID 174225846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).