4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole

C9H8ClF2N — CID 84671905

IUPAC4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole
SMILESFC(F)c1cc(Cl)c2c(c1)CNC2
InChIInChI=1S/C9H8ClF2N/c10-8-2-5(9(11)12)1-6-3-13-4-7(6)8/h1-2,9,13H,3-4H2
InChIKeyKNFYRGMMUUIKMP-UHFFFAOYSA-N
MW203.62 g/mol
LogP2.88
Rot. Bonds1

About 4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole

4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole (PubChem CID 84671905) has the molecular formula C9H8ClF2N and a molecular weight of 203.62 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole
PubChem CID84671905
Molecular FormulaC9H8ClF2N
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole
SMILESFC(F)c1cc(Cl)c2c(c1)CNC2
InChIInChI=1S/C9H8ClF2N/c10-8-2-5(9(11)12)1-6-3-13-4-7(6)8/h1-2,9,13H,3-4H2
InChIKeyKNFYRGMMUUIKMP-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole (CID 84671905) is 4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole is FC(F)c1cc(Cl)c2c(c1)CNC2.
What is the InChIKey of 4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole?
The InChIKey is KNFYRGMMUUIKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N/c10-8-2-5(9(11)12)1-6-3-13-4-7(6)8/h1-2,9,13H,3-4H2.
What are the key properties of 4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole?
4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole has a molecular weight of 203.62 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84671905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).