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

C15H10ClFO — CID 102058464

IUPAC5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1CC(c2ccc(F)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H10ClFO/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
InChIKeyZYRRFEMWGPWADI-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.20
Rot. Bonds1

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

5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one (PubChem CID 102058464) has the molecular formula C15H10ClFO and a molecular weight of 260.70 g/mol. Its IUPAC name is 5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
PubChem CID102058464
Molecular FormulaC15H10ClFO
Molecular Weight260.70 g/mol
Exact Mass260.04
IUPAC Name5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1CC(c2ccc(F)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H10ClFO/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
InChIKeyZYRRFEMWGPWADI-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
CID 125481529
(3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one
CID 129390835
(3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one
CID 129405671
6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 102058457
(3S)-3-(4-chlorophenyl)-6-(trifluoromethyl)-2,3-dihydroinden-1-one
CID 125481519
(3S)-6-chloro-3-(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydroinden-1-one
CID 89287069
4-(5-chloro-2-fluorophenyl)azetidin-2-one
CID 114866834
3-(4-tert-butylphenyl)-5-propan-2-yl-2,3-dihydroinden-1-one
CID 56836415
(3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one
CID 132569592
(2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one
CID 125481365
6-chloro-2-(3,5-difluorophenyl)-2,3-dihydrochromen-4-one
CID 106534728
3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 134982327

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one (CID 102058464) is 5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one is O=C1CC(c2ccc(F)cc2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one?
The InChIKey is ZYRRFEMWGPWADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO/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.
What are the key properties of 5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one?
5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one has a molecular weight of 260.70 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 102058464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).