2-bromo-7-fluoro-1H-indene

C9H6BrF — CID 164583222

IUPAC2-bromo-7-fluoro-1H-indene
SMILESFc1cccc2c1CC(Br)=C2
InChIInChI=1S/C9H6BrF/c10-7-4-6-2-1-3-9(11)8(6)5-7/h1-4H,5H2
InChIKeyPFMFPAUZCSOYLV-UHFFFAOYSA-N
MW213.05 g/mol
LogP3.12
Rot. Bonds

About 2-bromo-7-fluoro-1H-indene

2-bromo-7-fluoro-1H-indene (PubChem CID 164583222) has the molecular formula C9H6BrF and a molecular weight of 213.05 g/mol. Its IUPAC name is 2-bromo-7-fluoro-1H-indene.

Molecular Properties

Compound Name2-bromo-7-fluoro-1H-indene
PubChem CID164583222
Molecular FormulaC9H6BrF
Molecular Weight213.05 g/mol
Exact Mass211.96
IUPAC Name2-bromo-7-fluoro-1H-indene
SMILESFc1cccc2c1CC(Br)=C2
InChIInChI=1S/C9H6BrF/c10-7-4-6-2-1-3-9(11)8(6)5-7/h1-4H,5H2
InChIKeyPFMFPAUZCSOYLV-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.05
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(7-fluoro-1H-inden-2-yl)propan-1-amine
CID 105445162
2-(7-fluoro-1H-inden-2-yl)propanoic acid
CID 105458484
2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 175736121
2,6-difluorophenolate
CID 18433948
5-fluoro-3-methyl-3-propyl-4H-isoquinoline
CID 141297371
(1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 51601335
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
1,2,3-trifluorobenzene
CID 15147
N-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine
CID 139764936
5-fluoro-2,3-didehydro-1,4-dihydronaphthalene
CID 143897224
(2-bromo-3-fluorophenyl)-trimethylsilane
CID 151018348
1,8-difluoro-9H-fluoren-2-ol
CID 22223132

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-fluoro-1H-indene?
The IUPAC name of 2-bromo-7-fluoro-1H-indene (CID 164583222) is 2-bromo-7-fluoro-1H-indene.
What is the SMILES notation for 2-bromo-7-fluoro-1H-indene?
The canonical SMILES for 2-bromo-7-fluoro-1H-indene is Fc1cccc2c1CC(Br)=C2.
What is the InChIKey of 2-bromo-7-fluoro-1H-indene?
The InChIKey is PFMFPAUZCSOYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF/c10-7-4-6-2-1-3-9(11)8(6)5-7/h1-4H,5H2.
What are the key properties of 2-bromo-7-fluoro-1H-indene?
2-bromo-7-fluoro-1H-indene has a molecular weight of 213.05 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-fluoro-1H-indene is sourced from PubChem (CID 164583222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).