6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene

C18H21F — CID 143661668

IUPAC6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene
SMILESCC1CCC2=CC(Cc3ccc(F)cc3)=CCC21C
InChIInChI=1S/C18H21F/c1-13-3-6-16-12-15(9-10-18(13,16)2)11-14-4-7-17(19)8-5-14/h4-5,7-9,12-13H,3,6,10-11H2,1-2H3
InChIKeyIABGJBPDGJURPE-UHFFFAOYSA-N
MW256.36 g/mol
LogP5.06
Rot. Bonds2

About 6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene

6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene (PubChem CID 143661668) has the molecular formula C18H21F and a molecular weight of 256.36 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene
PubChem CID143661668
Molecular FormulaC18H21F
Molecular Weight256.36 g/mol
Exact Mass256.16
IUPAC Name6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene
SMILESCC1CCC2=CC(Cc3ccc(F)cc3)=CCC21C
InChIInChI=1S/C18H21F/c1-13-3-6-16-12-15(9-10-18(13,16)2)11-14-4-7-17(19)8-5-14/h4-5,7-9,12-13H,3,6,10-11H2,1-2H3
InChIKeyIABGJBPDGJURPE-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.36
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene (CID 143661668) is 6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene is CC1CCC2=CC(Cc3ccc(F)cc3)=CCC21C.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene?
The InChIKey is IABGJBPDGJURPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F/c1-13-3-6-16-12-15(9-10-18(13,16)2)11-14-4-7-17(19)8-5-14/h4-5,7-9,12-13H,3,6,10-11H2,1-2H3.
What are the key properties of 6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene?
6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene has a molecular weight of 256.36 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-3,3a-dimethyl-1,2,3,4-tetrahydroindene is sourced from PubChem (CID 143661668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).