3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene

C16H16Br2 — CID 174303175

IUPAC3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene
SMILESCC1C=C2C(=CC1Br)c1cc(Br)ccc1C2(C)C
InChIInChI=1S/C16H16Br2/c1-9-6-14-12(8-15(9)18)11-7-10(17)4-5-13(11)16(14,2)3/h4-9,15H,1-3H3
InChIKeyIVPCQFVMFFYLGX-UHFFFAOYSA-N
MW368.11 g/mol
LogP5.46
Rot. Bonds

About 3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene

3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene (PubChem CID 174303175) has the molecular formula C16H16Br2 and a molecular weight of 368.11 g/mol. Its IUPAC name is 3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene.

Molecular Properties

Compound Name3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene
PubChem CID174303175
Molecular FormulaC16H16Br2
Molecular Weight368.11 g/mol
Exact Mass365.96
IUPAC Name3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene
SMILESCC1C=C2C(=CC1Br)c1cc(Br)ccc1C2(C)C
InChIInChI=1S/C16H16Br2/c1-9-6-14-12(8-15(9)18)11-7-10(17)4-5-13(11)16(14,2)3/h4-9,15H,1-3H3
InChIKeyIVPCQFVMFFYLGX-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.11
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-9H-fluorene
CID 14336
2,7-Dibromofluorene
CID 140073
2,7-Dibromo-9,9-dihexyl-9H-fluorene
CID 3539647
2,2'-Dibromo-9,9'-spirobifluorene
CID 11282885
3-bromo-9H-fluorene
CID 11959045
2,7-Dibromo-9,9'-spirobi[9H-fluorene]
CID 15544767
2-Bromo-9,9-dibutylfluorene
CID 22381647
5-bromo-2,3-dihydro-1H-indene
CID 267139
2,7-Dibromo-9,9-didecylfluorene
CID 3661211
2,7-Dibromo-9,9-didodecylfluorene
CID 5140914
2,7-Dibromo-9,9-di-n-octylfluorene
CID 5215321
2-Bromo-9,9-diethylfluorene
CID 12123875

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene?
The IUPAC name of 3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene (CID 174303175) is 3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene.
What is the SMILES notation for 3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene?
The canonical SMILES for 3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene is CC1C=C2C(=CC1Br)c1cc(Br)ccc1C2(C)C.
What is the InChIKey of 3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene?
The InChIKey is IVPCQFVMFFYLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2/c1-9-6-14-12(8-15(9)18)11-7-10(17)4-5-13(11)16(14,2)3/h4-9,15H,1-3H3.
What are the key properties of 3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene?
3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene has a molecular weight of 368.11 g/mol, XLogP of 5.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2,9,9-trimethyl-2,3-dihydrofluorene is sourced from PubChem (CID 174303175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).