5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole

C10H11F2NO — CID 115076085

IUPAC5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
SMILESFC(F)COc1ccc2c(c1)CNC2
InChIInChI=1S/C10H11F2NO/c11-10(12)6-14-9-2-1-7-4-13-5-8(7)3-9/h1-3,10,13H,4-6H2
InChIKeyRSAPDPRNVROVSS-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.93
Rot. Bonds3

About 5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole

5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole (PubChem CID 115076085) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
PubChem CID115076085
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
SMILESFC(F)COc1ccc2c(c1)CNC2
InChIInChI=1S/C10H11F2NO/c11-10(12)6-14-9-2-1-7-4-13-5-8(7)3-9/h1-3,10,13H,4-6H2
InChIKeyRSAPDPRNVROVSS-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-5-yloxy)-N,N-dimethylethanamine
CID 59263142
2,2,2-trifluoroacetic acid;5-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-isoindole
CID 86607009
5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride
CID 68823048
5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole
CID 115076003
4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
CID 115075898
5-(diethoxyphosphorylmethoxy)-2,3-dihydro-1H-isoindole
CID 59132381
4-[2-(2,3-dihydro-1H-isoindol-5-yloxy)ethyl]morpholine
CID 66657088
2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
CID 83231769
6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 136576392
4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline
CID 155818639
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031
5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104581

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole (CID 115076085) is 5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole is FC(F)COc1ccc2c(c1)CNC2.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole?
The InChIKey is RSAPDPRNVROVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-10(12)6-14-9-2-1-7-4-13-5-8(7)3-9/h1-3,10,13H,4-6H2.
What are the key properties of 5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole?
5-(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 5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115076085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).