6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene

C11H15FO — CID 70151523

IUPAC6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene
SMILESCC1C2=C(CCC1CF)COC=C2
InChIInChI=1S/C11H15FO/c1-8-9(6-12)2-3-10-7-13-5-4-11(8)10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyDEFOODGNRAPDQV-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.84
Rot. Bonds1

About 6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene

6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene (PubChem CID 70151523) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene.

Molecular Properties

Compound Name6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene
PubChem CID70151523
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene
SMILESCC1C2=C(CCC1CF)COC=C2
InChIInChI=1S/C11H15FO/c1-8-9(6-12)2-3-10-7-13-5-4-11(8)10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyDEFOODGNRAPDQV-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene?
The IUPAC name of 6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene (CID 70151523) is 6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene.
What is the SMILES notation for 6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene?
The canonical SMILES for 6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene is CC1C2=C(CCC1CF)COC=C2.
What is the InChIKey of 6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene?
The InChIKey is DEFOODGNRAPDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-8-9(6-12)2-3-10-7-13-5-4-11(8)10/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene?
6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene has a molecular weight of 182.24 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene is sourced from PubChem (CID 70151523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).