6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one

C13H17FO2 — CID 139642662

IUPAC6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one
SMILESCC(C)C1(C)CC(=O)C2=C(C=CC(F)C2)O1
InChIInChI=1S/C13H17FO2/c1-8(2)13(3)7-11(15)10-6-9(14)4-5-12(10)16-13/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZXGPFOPVKWULBV-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.94
Rot. Bonds1

About 6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one

6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one (PubChem CID 139642662) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one.

Molecular Properties

Compound Name6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one
PubChem CID139642662
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one
SMILESCC(C)C1(C)CC(=O)C2=C(C=CC(F)C2)O1
InChIInChI=1S/C13H17FO2/c1-8(2)13(3)7-11(15)10-6-9(14)4-5-12(10)16-13/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZXGPFOPVKWULBV-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,6,6,8,8-Hexamethylchromene-5,7-dione
CID 85714133
[(4aS,8aS)-4-oxo-3-propan-2-ylidene-4a,7,8,8a-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
CID 102292002
7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one
CID 24804631
(5R,8S)-4-methoxy-3,8-dimethyl-5-[(2S)-pent-4-en-2-yl]-5,6,7,8-tetrahydronaphthalene-1,2-dione
CID 11989825
(5R,8S)-4-methoxy-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalene-1,2-dione
CID 68424034
2,2-Dimethyl-3,6a-dihydrobenzo[h]chromene-5,6-dione
CID 87478698
(4aR)-4,4,5-trimethyl-3-[(3Z)-penta-1,3-dien-2-yl]oxy-2-prop-2-enyl-4a,8a-dihydronaphthalen-1-one
CID 118984009
6-Methyl-2,3,5,6-tetrahydrochromen-4-one
CID 123425250
2-Cyclohexa-1,5-dien-1-yl-8-(3-methylbut-3-enyl)-5,6,7,8-tetrahydrochromen-4-one
CID 130183284
6-Methyl-3-propyl-4a,8a-dihydrochromen-4-one
CID 132083791
6-Ethyl-2,3,5,6-tetrahydrochromen-4-one
CID 143275947
8-Methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one
CID 166655525

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one?
The IUPAC name of 6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one (CID 139642662) is 6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one.
What is the SMILES notation for 6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one?
The canonical SMILES for 6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one is CC(C)C1(C)CC(=O)C2=C(C=CC(F)C2)O1.
What is the InChIKey of 6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one?
The InChIKey is ZXGPFOPVKWULBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-8(2)13(3)7-11(15)10-6-9(14)4-5-12(10)16-13/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one?
6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one has a molecular weight of 224.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one is sourced from PubChem (CID 139642662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).