2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one

C17H16FNO2 — CID 82579503

IUPAC2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one
SMILESCN(C)CCOc1ccc2c(c1)C(=O)c1cc(F)ccc1-2
InChIInChI=1S/C17H16FNO2/c1-19(2)7-8-21-12-4-6-14-13-5-3-11(18)9-15(13)17(20)16(14)10-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMRCJHECTLFHWQF-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.98
Rot. Bonds4

About 2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one

2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one (PubChem CID 82579503) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one
PubChem CID82579503
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one
SMILESCN(C)CCOc1ccc2c(c1)C(=O)c1cc(F)ccc1-2
InChIInChI=1S/C17H16FNO2/c1-19(2)7-8-21-12-4-6-14-13-5-3-11(18)9-15(13)17(20)16(14)10-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMRCJHECTLFHWQF-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one
CID 57439818
2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
2-[2-[2-(dimethylamino)ethoxy]-7-fluoro-9H-fluoren-9-yl]ethanamine
CID 82579143
1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one
CID 174427298
2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one
CID 154339493
2-[2-(dimethylamino)ethoxy]-6H-benzo[c][1]benzothiepin-11-one
CID 1201730
9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 24881823
6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one
CID 70886803
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride
CID 139146275
trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium
CID 57439338

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one (CID 82579503) is 2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one is CN(C)CCOc1ccc2c(c1)C(=O)c1cc(F)ccc1-2.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one?
The InChIKey is MRCJHECTLFHWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-19(2)7-8-21-12-4-6-14-13-5-3-11(18)9-15(13)17(20)16(14)10-12/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one?
2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one has a molecular weight of 285.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one is sourced from PubChem (CID 82579503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).