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

C16H12BrFO — CID 106893007

IUPAC(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESO=C(c1cc(F)ccc1Br)C1Cc2ccccc2C1
InChIInChI=1S/C16H12BrFO/c17-15-6-5-13(18)9-14(15)16(19)12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12H,7-8H2
InChIKeyQEIMCNOLBBIGNW-UHFFFAOYSA-N
MW319.17 g/mol
LogP4.19
Rot. Bonds2

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

(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 106893007) 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-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID106893007
Molecular FormulaC16H12BrFO
Molecular Weight319.17 g/mol
Exact Mass318.01
IUPAC Name(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESO=C(c1cc(F)ccc1Br)C1Cc2ccccc2C1
InChIInChI=1S/C16H12BrFO/c17-15-6-5-13(18)9-14(15)16(19)12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12H,7-8H2
InChIKeyQEIMCNOLBBIGNW-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-fluorophenyl)-cyclopropylmethanone
CID 114977645
2,3-dihydro-1H-inden-2-yl-(4-fluoro-2-methylphenyl)methanone
CID 65406838
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703873
(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
CID 114963342
2,3-dihydro-1H-inden-2-yl-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114725484
1-(2-bromo-5-fluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 114964226
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone
CID 105394203
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
(2-bromo-4-fluorophenyl)-cyclohexylmethanone
CID 114962193
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892614

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone (CID 106893007) is (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone is O=C(c1cc(F)ccc1Br)C1Cc2ccccc2C1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is QEIMCNOLBBIGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFO/c17-15-6-5-13(18)9-14(15)16(19)12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12H,7-8H2.
What are the key properties of (2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 319.17 g/mol, XLogP of 4.19, 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-2-yl)methanone is sourced from PubChem (CID 106893007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).