6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride

C12H15ClFNO — CID 131637863

IUPAC6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride
SMILESCl.Fc1ccc2c(c1)NCC21CCOCC1
InChIInChI=1S/C12H14FNO.ClH/c13-9-1-2-10-11(7-9)14-8-12(10)3-5-15-6-4-12;/h1-2,7,14H,3-6,8H2;1H
InChIKeyOXOCUNFWDZCWOF-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.72
Rot. Bonds

About 6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride

6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride (PubChem CID 131637863) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride.

Molecular Properties

Compound Name6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride
PubChem CID131637863
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride
SMILESCl.Fc1ccc2c(c1)NCC21CCOCC1
InChIInChI=1S/C12H14FNO.ClH/c13-9-1-2-10-11(7-9)14-8-12(10)3-5-15-6-4-12;/h1-2,7,14H,3-6,8H2;1H
InChIKeyOXOCUNFWDZCWOF-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride?
The IUPAC name of 6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride (CID 131637863) is 6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride.
What is the SMILES notation for 6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride?
The canonical SMILES for 6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride is Cl.Fc1ccc2c(c1)NCC21CCOCC1.
What is the InChIKey of 6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride?
The InChIKey is OXOCUNFWDZCWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO.ClH/c13-9-1-2-10-11(7-9)14-8-12(10)3-5-15-6-4-12;/h1-2,7,14H,3-6,8H2;1H.
What are the key properties of 6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride?
6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride has a molecular weight of 243.71 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride is sourced from PubChem (CID 131637863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).