5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

C11H19FO — CID 89259535

IUPAC5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESCC1CC(F)C2CC(C)COC2C1
InChIInChI=1S/C11H19FO/c1-7-4-10(12)9-3-8(2)6-13-11(9)5-7/h7-11H,3-6H2,1-2H3
InChIKeyILSBVBZMGVIMTQ-UHFFFAOYSA-N
MW186.27 g/mol
LogP2.80
Rot. Bonds

About 5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (PubChem CID 89259535) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is 5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.

Molecular Properties

Compound Name5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
PubChem CID89259535
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESCC1CC(F)C2CC(C)COC2C1
InChIInChI=1S/C11H19FO/c1-7-4-10(12)9-3-8(2)6-13-11(9)5-7/h7-11H,3-6H2,1-2H3
InChIKeyILSBVBZMGVIMTQ-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The IUPAC name of 5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (CID 89259535) is 5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.
What is the SMILES notation for 5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The canonical SMILES for 5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is CC1CC(F)C2CC(C)COC2C1.
What is the InChIKey of 5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The InChIKey is ILSBVBZMGVIMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO/c1-7-4-10(12)9-3-8(2)6-13-11(9)5-7/h7-11H,3-6H2,1-2H3.
What are the key properties of 5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene has a molecular weight of 186.27 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is sourced from PubChem (CID 89259535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).