ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate

C12H24FNO2 — CID 143936709

IUPACethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate
SMILESC.CC.CO.Fc1cccc2c1CNC2.O
InChIInChI=1S/C8H8FN.C2H6.CH4O.CH4.H2O/c9-8-3-1-2-6-4-10-5-7(6)8;2*1-2;;/h1-3,10H,4-5H2;1-2H3;2H,1H3;1H4;1H2
InChIKeySDVQMVYPIPSAQC-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.88
Rot. Bonds

About ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate

ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate (PubChem CID 143936709) has the molecular formula C12H24FNO2 and a molecular weight of 233.33 g/mol. Its IUPAC name is ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate.

Molecular Properties

Compound Nameethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate
PubChem CID143936709
Molecular FormulaC12H24FNO2
Molecular Weight233.33 g/mol
Exact Mass233.18
IUPAC Nameethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate
SMILESC.CC.CO.Fc1cccc2c1CNC2.O
InChIInChI=1S/C8H8FN.C2H6.CH4O.CH4.H2O/c9-8-3-1-2-6-4-10-5-7(6)8;2*1-2;;/h1-3,10H,4-5H2;1-2H3;2H,1H3;1H4;1H2
InChIKeySDVQMVYPIPSAQC-UHFFFAOYSA-N
XLogP1.88
TPSA63.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine
CID 170747588
5-fluoro-4-methyl-2,3-dihydro-1H-isoindole
CID 130064496
4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole
CID 84652151
4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride
CID 67486328
N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
CID 175813722
4,6-difluoro-2,3-dihydro-1H-isoindole
CID 117275596
(5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
CID 83875727
2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
CID 162338352
ethane;4-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 166485971
4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane
CID 153397787
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate?
The IUPAC name of ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate (CID 143936709) is ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate.
What is the SMILES notation for ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate?
The canonical SMILES for ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate is C.CC.CO.Fc1cccc2c1CNC2.O.
What is the InChIKey of ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate?
The InChIKey is SDVQMVYPIPSAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN.C2H6.CH4O.CH4.H2O/c9-8-3-1-2-6-4-10-5-7(6)8;2*1-2;;/h1-3,10H,4-5H2;1-2H3;2H,1H3;1H4;1H2.
What are the key properties of ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate?
ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate has a molecular weight of 233.33 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate is sourced from PubChem (CID 143936709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).