3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole

C17H16FN — CID 59993879

IUPAC3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole
SMILESCC1(C)N=C(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H16FN/c1-17(2)15-6-4-3-5-14(15)16(19-17)11-12-7-9-13(18)10-8-12/h3-10H,11H2,1-2H3
InChIKeyMFTHGKOGFSQHEB-UHFFFAOYSA-N
MW253.32 g/mol
LogP4.11
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole

3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole (PubChem CID 59993879) has the molecular formula C17H16FN and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole
PubChem CID59993879
Molecular FormulaC17H16FN
Molecular Weight253.32 g/mol
Exact Mass253.13
IUPAC Name3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole
SMILESCC1(C)N=C(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H16FN/c1-17(2)15-6-4-3-5-14(15)16(19-17)11-12-7-9-13(18)10-8-12/h3-10H,11H2,1-2H3
InChIKeyMFTHGKOGFSQHEB-UHFFFAOYSA-N
XLogP4.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole (CID 59993879) is 3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole is CC1(C)N=C(Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole?
The InChIKey is MFTHGKOGFSQHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN/c1-17(2)15-6-4-3-5-14(15)16(19-17)11-12-7-9-13(18)10-8-12/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole?
3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole has a molecular weight of 253.32 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1,1-dimethylisoindole is sourced from PubChem (CID 59993879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).