(3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one

C15H10BrFO — CID 125481529

IUPAC(3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1C[C@H](c2ccc(F)cc2)c2cc(Br)ccc21
InChIInChI=1S/C15H10BrFO/c16-10-3-6-12-14(7-10)13(8-15(12)18)9-1-4-11(17)5-2-9/h1-7,13H,8H2/t13-/m1/s1
InChIKeySBZKHNDPVCTTSZ-CYBMUJFWSA-N
MW305.15 g/mol
LogP4.31
Rot. Bonds1

About (3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one

(3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one (PubChem CID 125481529) has the molecular formula C15H10BrFO and a molecular weight of 305.15 g/mol. Its IUPAC name is (3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
PubChem CID125481529
Molecular FormulaC15H10BrFO
Molecular Weight305.15 g/mol
Exact Mass303.99
IUPAC Name(3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1C[C@H](c2ccc(F)cc2)c2cc(Br)ccc21
InChIInChI=1S/C15H10BrFO/c16-10-3-6-12-14(7-10)13(8-15(12)18)9-1-4-11(17)5-2-9/h1-7,13H,8H2/t13-/m1/s1
InChIKeySBZKHNDPVCTTSZ-CYBMUJFWSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
CID 102058464
(3S)-3,5-dibromo-2,3-dihydroinden-1-one
CID 86326332
(1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 129383415
5-bromo-3-pyrrolidin-1-yl-2,3-dihydroinden-1-one
CID 101421122
7-bromo-2-(2,4-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114673069
6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
CID 91416238
3-(4-tert-butylphenyl)-5-propan-2-yl-2,3-dihydroinden-1-one
CID 56836415
N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide
CID 91358406
(3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one
CID 129405671
1-fluoro-4-(2-methylidenecyclopropyl)benzene
CID 15862510
(3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one
CID 132569592
7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114673233

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one?
The IUPAC name of (3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one (CID 125481529) is (3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for (3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for (3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one is O=C1C[C@H](c2ccc(F)cc2)c2cc(Br)ccc21.
What is the InChIKey of (3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one?
The InChIKey is SBZKHNDPVCTTSZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H10BrFO/c16-10-3-6-12-14(7-10)13(8-15(12)18)9-1-4-11(17)5-2-9/h1-7,13H,8H2/t13-/m1/s1.
What are the key properties of (3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one?
(3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one has a molecular weight of 305.15 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 125481529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).