7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole

C12H14FNO — CID 170093989

IUPAC7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole
SMILESCOc1cc(C(C)C)c2c(c1F)CN=C2
InChIInChI=1S/C12H14FNO/c1-7(2)8-4-11(15-3)12(13)10-6-14-5-9(8)10/h4-5,7H,6H2,1-3H3
InChIKeyNNQZDMFCAURMFI-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.89
Rot. Bonds2

About 7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole

7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole (PubChem CID 170093989) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole
PubChem CID170093989
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole
SMILESCOc1cc(C(C)C)c2c(c1F)CN=C2
InChIInChI=1S/C12H14FNO/c1-7(2)8-4-11(15-3)12(13)10-6-14-5-9(8)10/h4-5,7H,6H2,1-3H3
InChIKeyNNQZDMFCAURMFI-UHFFFAOYSA-N
XLogP2.89
TPSA21.59 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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole 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

7-methoxy-3,8-dimethyl-5-propan-2-ylnaphthalene-1,2-dione
CID 10015379
1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
CID 59409851
5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene
CID 11746525
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382
4,5-dimethoxy-2-propan-2-ylbenzenethiol
CID 130436084
4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene
CID 167036227
[4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane
CID 167009841
1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene
CID 176686118
2,4-dimethoxy-3-methyl-6-propan-2-ylaniline
CID 102416676
1-(2-fluoro-3,5-dimethoxyphenyl)ethanol
CID 117289259
4-methoxy-1-methyl-3-propan-2-ylpyrazole
CID 163957841

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole?
The IUPAC name of 7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole (CID 170093989) is 7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole.
What is the SMILES notation for 7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole?
The canonical SMILES for 7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole is COc1cc(C(C)C)c2c(c1F)CN=C2.
What is the InChIKey of 7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole?
The InChIKey is NNQZDMFCAURMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-7(2)8-4-11(15-3)12(13)10-6-14-5-9(8)10/h4-5,7H,6H2,1-3H3.
What are the key properties of 7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole?
7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole has a molecular weight of 207.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole is sourced from PubChem (CID 170093989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).