3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene

C16H19FO — CID 163978075

IUPAC3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene
SMILESCOC1=CC2C(C=C1)C1=C(CCC(F)=C1)C2(C)C
InChIInChI=1S/C16H19FO/c1-16(2)14-7-4-10(17)8-13(14)12-6-5-11(18-3)9-15(12)16/h5-6,8-9,12,15H,4,7H2,1-3H3
InChIKeySVXMWHGIFHMVSG-UHFFFAOYSA-N
MW246.32 g/mol
LogP4.30
Rot. Bonds1

About 3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene

3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene (PubChem CID 163978075) has the molecular formula C16H19FO and a molecular weight of 246.32 g/mol. Its IUPAC name is 3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene.

Molecular Properties

Compound Name3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene
PubChem CID163978075
Molecular FormulaC16H19FO
Molecular Weight246.32 g/mol
Exact Mass246.14
IUPAC Name3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene
SMILESCOC1=CC2C(C=C1)C1=C(CCC(F)=C1)C2(C)C
InChIInChI=1S/C16H19FO/c1-16(2)14-7-4-10(17)8-13(14)12-6-5-11(18-3)9-15(12)16/h5-6,8-9,12,15H,4,7H2,1-3H3
InChIKeySVXMWHGIFHMVSG-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene 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 3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene?
The IUPAC name of 3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene (CID 163978075) is 3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene.
What is the SMILES notation for 3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene?
The canonical SMILES for 3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene is COC1=CC2C(C=C1)C1=C(CCC(F)=C1)C2(C)C.
What is the InChIKey of 3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene?
The InChIKey is SVXMWHGIFHMVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO/c1-16(2)14-7-4-10(17)8-13(14)12-6-5-11(18-3)9-15(12)16/h5-6,8-9,12,15H,4,7H2,1-3H3.
What are the key properties of 3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene?
3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene has a molecular weight of 246.32 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-methoxy-9,9-dimethyl-1,2,4b,8a-tetrahydrofluorene is sourced from PubChem (CID 163978075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).