4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole

C32H25F3N4 — CID 163967307

IUPAC4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole
SMILESFc1ccc2[nH]ccc2c1.Fc1ccc2cc[nH]c2c1.Fc1cccc2[nH]ccc12.c1ccc2[nH]ccc2c1
InChIInChI=1S/3C8H6FN.C8H7N/c9-7-1-2-8-6(5-7)3-4-10-8;9-7-2-1-6-3-4-10-8(6)5-7;9-7-2-1-3-8-6(7)4-5-10-8;1-2-4-8-7(3-1)5-6-9-8/h3*1-5,10H;1-6,9H
InChIKeySMXXTQVTPJAOOO-UHFFFAOYSA-N
MW522.57 g/mol
LogP9.09
Rot. Bonds

About 4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole

4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole (PubChem CID 163967307) has the molecular formula C32H25F3N4 and a molecular weight of 522.57 g/mol. Its IUPAC name is 4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole.

Molecular Properties

Compound Name4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole
PubChem CID163967307
Molecular FormulaC32H25F3N4
Molecular Weight522.57 g/mol
Exact Mass522.20
IUPAC Name4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole
SMILESFc1ccc2[nH]ccc2c1.Fc1ccc2cc[nH]c2c1.Fc1cccc2[nH]ccc12.c1ccc2[nH]ccc2c1
InChIInChI=1S/3C8H6FN.C8H7N/c9-7-1-2-8-6(5-7)3-4-10-8;9-7-2-1-6-3-4-10-8(6)5-7;9-7-2-1-3-8-6(7)4-5-10-8;1-2-4-8-7(3-1)5-6-9-8/h3*1-5,10H;1-6,9H
InChIKeySMXXTQVTPJAOOO-UHFFFAOYSA-N
XLogP9.09
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 59.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

5-fluoro-1H-indole;molecular fluorine
CID 123133815
ethane;5-fluoro-1H-indole;molecular hydrogen
CID 144540127
6-fluoro-1H-indole;quinoline
CID 158890456
4-(2,4-difluorophenyl)-1H-indole
CID 22561815
ethanamine;5-fluoro-1H-indole
CID 175177872
1H-indole;dihydrochloride
CID 18796541
cesium;1H-indole;hydroxide
CID 175329356
CID 174930358
CID 174930358
disodium;tris(1H-indole);sulfide
CID 67840647
1-bromopropane;5-fluoro-1H-indole
CID 175237737
5-fluoro-1H-indole;pyridine;quinoline
CID 174896082
imino(dioxido)azanium;1H-indole
CID 90133687

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole?
The IUPAC name of 4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole (CID 163967307) is 4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole.
What is the SMILES notation for 4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole?
The canonical SMILES for 4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole is Fc1ccc2[nH]ccc2c1.Fc1ccc2cc[nH]c2c1.Fc1cccc2[nH]ccc12.c1ccc2[nH]ccc2c1.
What is the InChIKey of 4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole?
The InChIKey is SMXXTQVTPJAOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H6FN.C8H7N/c9-7-1-2-8-6(5-7)3-4-10-8;9-7-2-1-6-3-4-10-8(6)5-7;9-7-2-1-3-8-6(7)4-5-10-8;1-2-4-8-7(3-1)5-6-9-8/h3*1-5,10H;1-6,9H.
What are the key properties of 4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole?
4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole has a molecular weight of 522.57 g/mol, XLogP of 9.09, 0 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole is sourced from PubChem (CID 163967307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).