3,3-difluoroindole;hydrochloride

C8H6ClF2N — CID 172824632

IUPAC3,3-difluoroindole;hydrochloride
SMILESCl.FC1(F)C=Nc2ccccc21
InChIInChI=1S/C8H5F2N.ClH/c9-8(10)5-11-7-4-2-1-3-6(7)8;/h1-5H;1H
InChIKeyURRMMSJAQULBRN-UHFFFAOYSA-N
MW189.59 g/mol
LogP2.92
Rot. Bonds

About 3,3-difluoroindole;hydrochloride

3,3-difluoroindole;hydrochloride (PubChem CID 172824632) has the molecular formula C8H6ClF2N and a molecular weight of 189.59 g/mol. Its IUPAC name is 3,3-difluoroindole;hydrochloride.

Molecular Properties

Compound Name3,3-difluoroindole;hydrochloride
PubChem CID172824632
Molecular FormulaC8H6ClF2N
Molecular Weight189.59 g/mol
Exact Mass189.02
IUPAC Name3,3-difluoroindole;hydrochloride
SMILESCl.FC1(F)C=Nc2ccccc21
InChIInChI=1S/C8H5F2N.ClH/c9-8(10)5-11-7-4-2-1-3-6(7)8;/h1-5H;1H
InChIKeyURRMMSJAQULBRN-UHFFFAOYSA-N
XLogP2.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.59
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 68520694
spiro[aziridine-2,3'-indole]
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3-[chloro(fluoro)methyl]-3-methylindole
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3-iodo-3-phenylindole
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(3-iodoindol-3-yl)-trimethylazanium
CID 174515957
3-pyrrol-1-ylindol-3-amine
CID 174405091
2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone
CID 14048773
3',3'-difluoro-1'-methyl-N-phenylspiro[indole-3,4'-pyrrolidine]-2'-imine
CID 72792604
(3-methylindol-3-yl) formate
CID 164787795
3,3-dimethyl-1,5-benzodiazepine
CID 67559989
3-isothiocyanato-3-methylindole
CID 146425198

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroindole;hydrochloride?
The IUPAC name of 3,3-difluoroindole;hydrochloride (CID 172824632) is 3,3-difluoroindole;hydrochloride.
What is the SMILES notation for 3,3-difluoroindole;hydrochloride?
The canonical SMILES for 3,3-difluoroindole;hydrochloride is Cl.FC1(F)C=Nc2ccccc21.
What is the InChIKey of 3,3-difluoroindole;hydrochloride?
The InChIKey is URRMMSJAQULBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N.ClH/c9-8(10)5-11-7-4-2-1-3-6(7)8;/h1-5H;1H.
What are the key properties of 3,3-difluoroindole;hydrochloride?
3,3-difluoroindole;hydrochloride has a molecular weight of 189.59 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroindole;hydrochloride is sourced from PubChem (CID 172824632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).