3,4-difluoro-1H-indole

C8H5F2N — CID 90939330

IUPAC3,4-difluoro-1H-indole
SMILESFc1cccc2[nH]cc(F)c12
InChIInChI=1S/C8H5F2N/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-4,11H
InChIKeyDETCGQNBWKHTCQ-UHFFFAOYSA-N
MW153.13 g/mol
LogP2.45
Rot. Bonds

About 3,4-difluoro-1H-indole

3,4-difluoro-1H-indole (PubChem CID 90939330) has the molecular formula C8H5F2N and a molecular weight of 153.13 g/mol. Its IUPAC name is 3,4-difluoro-1H-indole.

Molecular Properties

Compound Name3,4-difluoro-1H-indole
PubChem CID90939330
Molecular FormulaC8H5F2N
Molecular Weight153.13 g/mol
Exact Mass153.04
IUPAC Name3,4-difluoro-1H-indole
SMILESFc1cccc2[nH]cc(F)c12
InChIInChI=1S/C8H5F2N/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-4,11H
InChIKeyDETCGQNBWKHTCQ-UHFFFAOYSA-N
XLogP2.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1H-indole?
The IUPAC name of 3,4-difluoro-1H-indole (CID 90939330) is 3,4-difluoro-1H-indole.
What is the SMILES notation for 3,4-difluoro-1H-indole?
The canonical SMILES for 3,4-difluoro-1H-indole is Fc1cccc2[nH]cc(F)c12.
What is the InChIKey of 3,4-difluoro-1H-indole?
The InChIKey is DETCGQNBWKHTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-4,11H.
What are the key properties of 3,4-difluoro-1H-indole?
3,4-difluoro-1H-indole has a molecular weight of 153.13 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1H-indole is sourced from PubChem (CID 90939330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).