1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene

C13H15F — CID 123938657

IUPAC1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene
SMILESCC1=CC2C(=CC(C)=C(C)C2F)C=C1
InChIInChI=1S/C13H15F/c1-8-4-5-11-7-9(2)10(3)13(14)12(11)6-8/h4-7,12-13H,1-3H3
InChIKeyBAXFYBZMQTVVGY-UHFFFAOYSA-N
MW190.26 g/mol
LogP3.73
Rot. Bonds

About 1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene

1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene (PubChem CID 123938657) has the molecular formula C13H15F and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene.

Molecular Properties

Compound Name1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene
PubChem CID123938657
Molecular FormulaC13H15F
Molecular Weight190.26 g/mol
Exact Mass190.12
IUPAC Name1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene
SMILESCC1=CC2C(=CC(C)=C(C)C2F)C=C1
InChIInChI=1S/C13H15F/c1-8-4-5-11-7-9(2)10(3)13(14)12(11)6-8/h4-7,12-13H,1-3H3
InChIKeyBAXFYBZMQTVVGY-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene 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

6-fluoro-4-methylcyclohexa-2,4-diene-1-thione
CID 174553016
1,7-dimethyl-1,8a-dihydroisoquinoline
CID 130184066
5-fluoro-2,6-dimethylcyclohexa-1,3-diene
CID 89049672
4-hydroxy-6-methyl-4a,8a-dihydro-1H-quinolin-2-one
CID 143863556
4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one
CID 134291801
methyl 3-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate
CID 123992707
5-methyl-1,3,3a,7a-tetrahydroinden-2-one
CID 58169662
(2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene
CID 174150100
2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane
CID 54226559
2,7-dimethyl-10b,10c-dihydropyrene
CID 58880753
CID 102088109
CID 102088109
dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane
CID 100952067

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene?
The IUPAC name of 1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene (CID 123938657) is 1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene.
What is the SMILES notation for 1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene?
The canonical SMILES for 1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene is CC1=CC2C(=CC(C)=C(C)C2F)C=C1.
What is the InChIKey of 1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene?
The InChIKey is BAXFYBZMQTVVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F/c1-8-4-5-11-7-9(2)10(3)13(14)12(11)6-8/h4-7,12-13H,1-3H3.
What are the key properties of 1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene?
1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene has a molecular weight of 190.26 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene is sourced from PubChem (CID 123938657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).