2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one

C17H14F2O — CID 116789883

IUPAC2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1CC(F)(F)c1ccccc1
InChIInChI=1S/C17H14F2O/c18-17(19,14-7-2-1-3-8-14)11-13-10-12-6-4-5-9-15(12)16(13)20/h1-9,13H,10-11H2
InChIKeyNLDPBNYFCHHNDN-UHFFFAOYSA-N
MW272.29 g/mol
LogP4.22
Rot. Bonds3

About 2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one

2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one (PubChem CID 116789883) has the molecular formula C17H14F2O and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one
PubChem CID116789883
Molecular FormulaC17H14F2O
Molecular Weight272.29 g/mol
Exact Mass272.10
IUPAC Name2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1CC(F)(F)c1ccccc1
InChIInChI=1S/C17H14F2O/c18-17(19,14-7-2-1-3-8-14)11-13-10-12-6-4-5-9-15(12)16(13)20/h1-9,13H,10-11H2
InChIKeyNLDPBNYFCHHNDN-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one
CID 910021
2-(2-fluoroethyl)-2,3-dihydroinden-1-one
CID 80695760
2-(2-methyl-2-nitropropyl)-2,3-dihydroinden-1-one
CID 12733660
2-[(4-tert-butylphenyl)methyl]-2,3-dihydroinden-1-one
CID 63399290
2-(methoxymethyl)-2,3-dihydroinden-1-one
CID 71409050
(2S)-2-but-2-enyl-2,3-dihydroinden-1-one
CID 67713890
2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544000
2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544001
2-(5-aminopentyl)-2,3-dihydroinden-1-one
CID 23389014
(2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one
CID 129365333
2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one
CID 65316693
2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one
CID 55066215

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one (CID 116789883) is 2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1CC(F)(F)c1ccccc1.
What is the InChIKey of 2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one?
The InChIKey is NLDPBNYFCHHNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O/c18-17(19,14-7-2-1-3-8-14)11-13-10-12-6-4-5-9-15(12)16(13)20/h1-9,13H,10-11H2.
What are the key properties of 2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one?
2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one has a molecular weight of 272.29 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 116789883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).