(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone

C16H12BrFO — CID 43338923

IUPAC(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCC2)c1cc(F)ccc1Br
InChIInChI=1S/C16H12BrFO/c17-15-7-6-13(18)9-14(15)16(19)12-5-4-10-2-1-3-11(10)8-12/h4-9H,1-3H2
InChIKeyVBUJPZFKRKNXLF-UHFFFAOYSA-N
MW319.17 g/mol
LogP4.31
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone

(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone (PubChem CID 43338923) has the molecular formula C16H12BrFO and a molecular weight of 319.17 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
PubChem CID43338923
Molecular FormulaC16H12BrFO
Molecular Weight319.17 g/mol
Exact Mass318.01
IUPAC Name(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCC2)c1cc(F)ccc1Br
InChIInChI=1S/C16H12BrFO/c17-15-7-6-13(18)9-14(15)16(19)12-5-4-10-2-1-3-11(10)8-12/h4-9H,1-3H2
InChIKeyVBUJPZFKRKNXLF-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone
CID 113399939
(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107123674
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanone
CID 43338936
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877016
(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107979596
(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107874132
(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 80532389
(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 62649815
2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methanone
CID 43338938
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
CID 114962473
(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43161073

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone (CID 43338923) is (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone is O=C(c1ccc2c(c1)CCC2)c1cc(F)ccc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The InChIKey is VBUJPZFKRKNXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFO/c17-15-7-6-13(18)9-14(15)16(19)12-5-4-10-2-1-3-11(10)8-12/h4-9H,1-3H2.
What are the key properties of (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone has a molecular weight of 319.17 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone is sourced from PubChem (CID 43338923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).