4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene

C15H14BrCl — CID 138724629

IUPAC4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene
SMILESCC1(C)C2=CCCC(Br)=C2c2ccc(Cl)cc21
InChIInChI=1S/C15H14BrCl/c1-15(2)11-4-3-5-13(16)14(11)10-7-6-9(17)8-12(10)15/h4,6-8H,3,5H2,1-2H3
InChIKeyMTBWEKAQESUYSR-UHFFFAOYSA-N
MW309.63 g/mol
LogP5.46
Rot. Bonds

About 4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene

4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene (PubChem CID 138724629) has the molecular formula C15H14BrCl and a molecular weight of 309.63 g/mol. Its IUPAC name is 4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene.

Molecular Properties

Compound Name4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene
PubChem CID138724629
Molecular FormulaC15H14BrCl
Molecular Weight309.63 g/mol
Exact Mass308.00
IUPAC Name4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene
SMILESCC1(C)C2=CCCC(Br)=C2c2ccc(Cl)cc21
InChIInChI=1S/C15H14BrCl/c1-15(2)11-4-3-5-13(16)14(11)10-7-6-9(17)8-12(10)15/h4,6-8H,3,5H2,1-2H3
InChIKeyMTBWEKAQESUYSR-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.63
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
5-chloro-2,3,3-trimethylisoindol-1-one
CID 102337025
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
7-chloro-1-iodo-9,9-dimethylfluorene
CID 139958810
7-chloro-2,4-difluoro-9,9-dimethylfluorene
CID 156704590
5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene]
CID 155157623
(7-chloro-3,4-dihydronaphthalen-1-yl)methanamine
CID 82277158
2-(7-chloro-3,4-dihydronaphthalen-1-yl)-N-methylpropan-2-amine
CID 105497365
2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 123499622
7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene]
CID 138555365
5-bromo-3-chloro-9,9-dimethylfluorene
CID 175668699
bis(4-bromophenyl)-[(2E)-2-[(2E)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium
CID 162181155

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene?
The IUPAC name of 4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene (CID 138724629) is 4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene.
What is the SMILES notation for 4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene?
The canonical SMILES for 4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene is CC1(C)C2=CCCC(Br)=C2c2ccc(Cl)cc21.
What is the InChIKey of 4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene?
The InChIKey is MTBWEKAQESUYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl/c1-15(2)11-4-3-5-13(16)14(11)10-7-6-9(17)8-12(10)15/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene?
4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene has a molecular weight of 309.63 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 4-bromo-7-chloro-9,9-dimethyl-2,3-dihydrofluorene is sourced from PubChem (CID 138724629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).