7-(4-fluorobutylamino)-4-methylchromen-2-one

C14H16FNO2 — CID 166193275

IUPAC7-(4-fluorobutylamino)-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(NCCCCF)ccc12
InChIInChI=1S/C14H16FNO2/c1-10-8-14(17)18-13-9-11(4-5-12(10)13)16-7-3-2-6-15/h4-5,8-9,16H,2-3,6-7H2,1H3
InChIKeyMPXMCLIFEAIPDA-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.26
Rot. Bonds5

About 7-(4-fluorobutylamino)-4-methylchromen-2-one

7-(4-fluorobutylamino)-4-methylchromen-2-one (PubChem CID 166193275) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 7-(4-fluorobutylamino)-4-methylchromen-2-one.

Molecular Properties

Compound Name7-(4-fluorobutylamino)-4-methylchromen-2-one
PubChem CID166193275
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name7-(4-fluorobutylamino)-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(NCCCCF)ccc12
InChIInChI=1S/C14H16FNO2/c1-10-8-14(17)18-13-9-11(4-5-12(10)13)16-7-3-2-6-15/h4-5,8-9,16H,2-3,6-7H2,1H3
InChIKeyMPXMCLIFEAIPDA-UHFFFAOYSA-N
XLogP3.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-7-(pentylamino)chromen-2-one
CID 88996425
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
1-(4-methyl-2-oxochromen-7-yl)-3-nonylthiourea
CID 19651148
1-heptyl-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 19650890
7-anilino-4-methylchromen-2-one
CID 804341
6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 10758804
4-methyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]chromen-2-one
CID 43074577
2-[[(4-methyl-2-oxochromen-7-yl)amino]methyl]benzonitrile
CID 42919621
1-tert-butyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 110749119
2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 74319438
7-[(2-hydroxy-3,5-diiodophenyl)methylamino]-4-methylchromen-2-one
CID 71589289
7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene
CID 110734309

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorobutylamino)-4-methylchromen-2-one?
The IUPAC name of 7-(4-fluorobutylamino)-4-methylchromen-2-one (CID 166193275) is 7-(4-fluorobutylamino)-4-methylchromen-2-one.
What is the SMILES notation for 7-(4-fluorobutylamino)-4-methylchromen-2-one?
The canonical SMILES for 7-(4-fluorobutylamino)-4-methylchromen-2-one is Cc1cc(=O)oc2cc(NCCCCF)ccc12.
What is the InChIKey of 7-(4-fluorobutylamino)-4-methylchromen-2-one?
The InChIKey is MPXMCLIFEAIPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-10-8-14(17)18-13-9-11(4-5-12(10)13)16-7-3-2-6-15/h4-5,8-9,16H,2-3,6-7H2,1H3.
What are the key properties of 7-(4-fluorobutylamino)-4-methylchromen-2-one?
7-(4-fluorobutylamino)-4-methylchromen-2-one has a molecular weight of 249.28 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorobutylamino)-4-methylchromen-2-one is sourced from PubChem (CID 166193275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).