4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole

C10H11F2NO — CID 115075898

IUPAC4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
SMILESFC(F)COc1cccc2c1CNC2
InChIInChI=1S/C10H11F2NO/c11-10(12)6-14-9-3-1-2-7-4-13-5-8(7)9/h1-3,10,13H,4-6H2
InChIKeyHRAUCXJXSNFJAW-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.93
Rot. Bonds3

About 4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole

4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole (PubChem CID 115075898) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
PubChem CID115075898
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
SMILESFC(F)COc1cccc2c1CNC2
InChIInChI=1S/C10H11F2NO/c11-10(12)6-14-9-3-1-2-7-4-13-5-8(7)9/h1-3,10,13H,4-6H2
InChIKeyHRAUCXJXSNFJAW-UHFFFAOYSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid
CID 84664529
4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075810
4-(thian-4-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075868
4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075833
4-[(4-methyloxan-4-yl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075865
6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 162309445
5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
CID 115076085
4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole
CID 84652151
5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455954
4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075876
4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole
CID 115075917
1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole (CID 115075898) is 4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole is FC(F)COc1cccc2c1CNC2.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole?
The InChIKey is HRAUCXJXSNFJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-10(12)6-14-9-3-1-2-7-4-13-5-8(7)9/h1-3,10,13H,4-6H2.
What are the key properties of 4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole?
4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole has a molecular weight of 199.20 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115075898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).