[2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride

C11H13ClF2N2O — CID 11076269

IUPAC[2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride
SMILESCOc1ccc2[nH]cc(C(F)(F)C[NH3+])c2c1.[Cl-]
InChIInChI=1S/C11H12F2N2O.ClH/c1-16-7-2-3-10-8(4-7)9(5-15-10)11(12,13)6-14;/h2-5,15H,6,14H2,1H3;1H
InChIKeyOTHDQSCCDQIRPW-UHFFFAOYSA-N
MW262.69 g/mol
LogP-1.49
Rot. Bonds3

About [2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride

[2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride (PubChem CID 11076269) has the molecular formula C11H13ClF2N2O and a molecular weight of 262.69 g/mol. Its IUPAC name is [2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride.

Molecular Properties

Compound Name[2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride
PubChem CID11076269
Molecular FormulaC11H13ClF2N2O
Molecular Weight262.69 g/mol
Exact Mass262.07
IUPAC Name[2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride
SMILESCOc1ccc2[nH]cc(C(F)(F)C[NH3+])c2c1.[Cl-]
InChIInChI=1S/C11H12F2N2O.ClH/c1-16-7-2-3-10-8(4-7)9(5-15-10)11(12,13)6-14;/h2-5,15H,6,14H2,1H3;1H
InChIKeyOTHDQSCCDQIRPW-UHFFFAOYSA-N
XLogP-1.49
TPSA52.66 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride
CID 73424996
5-methoxy-3-(2-methylbutan-2-yl)-1H-indole
CID 106985577
3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627056
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
ethyl 4,4,4-trifluoro-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)butanoate
CID 23237337
1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine
CID 135044105
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]cyclopropanecarboxamide
CID 113084339
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine
CID 172624963
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084400
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
(2R)-3,3,3-trifluoro-2-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 98042413

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride?
The IUPAC name of [2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride (CID 11076269) is [2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride.
What is the SMILES notation for [2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride?
The canonical SMILES for [2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride is COc1ccc2[nH]cc(C(F)(F)C[NH3+])c2c1.[Cl-].
What is the InChIKey of [2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride?
The InChIKey is OTHDQSCCDQIRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O.ClH/c1-16-7-2-3-10-8(4-7)9(5-15-10)11(12,13)6-14;/h2-5,15H,6,14H2,1H3;1H.
What are the key properties of [2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride?
[2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride has a molecular weight of 262.69 g/mol, XLogP of -1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride is sourced from PubChem (CID 11076269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).