4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole

C9H7F4N — CID 142338406

IUPAC4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole
SMILESFc1c(C(F)(F)F)ccc2c1CNC2
InChIInChI=1S/C9H7F4N/c10-8-6-4-14-3-5(6)1-2-7(8)9(11,12)13/h1-2,14H,3-4H2
InChIKeyZXXBSJGNXJEOAS-UHFFFAOYSA-N
MW205.15 g/mol
LogP2.45
Rot. Bonds

About 4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole

4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole (PubChem CID 142338406) has the molecular formula C9H7F4N and a molecular weight of 205.15 g/mol. Its IUPAC name is 4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole
PubChem CID142338406
Molecular FormulaC9H7F4N
Molecular Weight205.15 g/mol
Exact Mass205.05
IUPAC Name4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole
SMILESFc1c(C(F)(F)F)ccc2c1CNC2
InChIInChI=1S/C9H7F4N/c10-8-6-4-14-3-5(6)1-2-7(8)9(11,12)13/h1-2,14H,3-4H2
InChIKeyZXXBSJGNXJEOAS-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole (CID 142338406) is 4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole is Fc1c(C(F)(F)F)ccc2c1CNC2.
What is the InChIKey of 4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
The InChIKey is ZXXBSJGNXJEOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4N/c10-8-6-4-14-3-5(6)1-2-7(8)9(11,12)13/h1-2,14H,3-4H2.
What are the key properties of 4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole has a molecular weight of 205.15 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 142338406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).