2-fluoro-1-(propylamino)fluoren-9-one

C16H14FNO — CID 70613596

IUPAC2-fluoro-1-(propylamino)fluoren-9-one
SMILESCCCNc1c(F)ccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C16H14FNO/c1-2-9-18-15-13(17)8-7-11-10-5-3-4-6-12(10)16(19)14(11)15/h3-8,18H,2,9H2,1H3
InChIKeyPDUBFIREKARZDR-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.86
Rot. Bonds3

About 2-fluoro-1-(propylamino)fluoren-9-one

2-fluoro-1-(propylamino)fluoren-9-one (PubChem CID 70613596) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-fluoro-1-(propylamino)fluoren-9-one.

Molecular Properties

Compound Name2-fluoro-1-(propylamino)fluoren-9-one
PubChem CID70613596
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name2-fluoro-1-(propylamino)fluoren-9-one
SMILESCCCNc1c(F)ccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C16H14FNO/c1-2-9-18-15-13(17)8-7-11-10-5-3-4-6-12(10)16(19)14(11)15/h3-8,18H,2,9H2,1H3
InChIKeyPDUBFIREKARZDR-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-(propan-2-ylamino)fluoren-9-one
CID 70613160
2,6-difluoro-N-propylaniline
CID 21161523
6-chloro-1-(propylamino)anthracene-9,10-dione
CID 21419216
2-nitro-1-(pentylamino)anthracene-9,10-dione
CID 70630487
1-(3-aminopropylamino)-2-chloroanthracene-9,10-dione
CID 140996904
2-(benzylamino)-3-(propylamino)naphthalene-1,4-dione
CID 20725728
1-fluoro-4-(prop-2-ynylamino)anthracene-9,10-dione
CID 132525573
1,2-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
CID 56618724
1-butylfluoren-9-one
CID 14598470
1-[2-(dimethylamino)ethylamino]-2-[3-[1-[2-(dimethylamino)ethylamino]-9,10-dioxoanthracen-2-yl]propyl]anthracene-9,10-dione
CID 140546332
1-(ethylamino)-9,10-dioxoanthracene-2-carboxylate
CID 7064882
anthracene-9,10-dione;propane
CID 162068050

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(propylamino)fluoren-9-one?
The IUPAC name of 2-fluoro-1-(propylamino)fluoren-9-one (CID 70613596) is 2-fluoro-1-(propylamino)fluoren-9-one.
What is the SMILES notation for 2-fluoro-1-(propylamino)fluoren-9-one?
The canonical SMILES for 2-fluoro-1-(propylamino)fluoren-9-one is CCCNc1c(F)ccc2c1C(=O)c1ccccc1-2.
What is the InChIKey of 2-fluoro-1-(propylamino)fluoren-9-one?
The InChIKey is PDUBFIREKARZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-2-9-18-15-13(17)8-7-11-10-5-3-4-6-12(10)16(19)14(11)15/h3-8,18H,2,9H2,1H3.
What are the key properties of 2-fluoro-1-(propylamino)fluoren-9-one?
2-fluoro-1-(propylamino)fluoren-9-one has a molecular weight of 255.29 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(propylamino)fluoren-9-one is sourced from PubChem (CID 70613596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).