2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one

C12H14FNO — CID 68805219

IUPAC2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one
SMILESCN(C)CC1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C12H14FNO/c1-14(2)7-9-5-8-6-10(13)3-4-11(8)12(9)15/h3-4,6,9H,5,7H2,1-2H3
InChIKeyQHNYYAVQWSEQLN-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.74
Rot. Bonds2

About 2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one

2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one (PubChem CID 68805219) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one
PubChem CID68805219
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one
SMILESCN(C)CC1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C12H14FNO/c1-14(2)7-9-5-8-6-10(13)3-4-11(8)12(9)15/h3-4,6,9H,5,7H2,1-2H3
InChIKeyQHNYYAVQWSEQLN-UHFFFAOYSA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one?
The IUPAC name of 2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one (CID 68805219) is 2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one is CN(C)CC1Cc2cc(F)ccc2C1=O.
What is the InChIKey of 2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one?
The InChIKey is QHNYYAVQWSEQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-14(2)7-9-5-8-6-10(13)3-4-11(8)12(9)15/h3-4,6,9H,5,7H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one?
2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one has a molecular weight of 207.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one is sourced from PubChem (CID 68805219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).