5-fluoro-3-(3-methylbutan-2-yl)-1H-indole

C13H16FN — CID 106985153

IUPAC5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
SMILESCC(C)C(C)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H16FN/c1-8(2)9(3)12-7-15-13-5-4-10(14)6-11(12)13/h4-9,15H,1-3H3
InChIKeySRPBJHFWXXLFKQ-UHFFFAOYSA-N
MW205.28 g/mol
LogP4.07
Rot. Bonds2

About 5-fluoro-3-(3-methylbutan-2-yl)-1H-indole

5-fluoro-3-(3-methylbutan-2-yl)-1H-indole (PubChem CID 106985153) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 5-fluoro-3-(3-methylbutan-2-yl)-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
PubChem CID106985153
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
SMILESCC(C)C(C)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H16FN/c1-8(2)9(3)12-7-15-13-5-4-10(14)6-11(12)13/h4-9,15H,1-3H3
InChIKeySRPBJHFWXXLFKQ-UHFFFAOYSA-N
XLogP4.07
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(3S,4S)-3-amino-4-(5-fluoro-1H-indol-3-yl)pentan-2-one
CID 122607429
5-chloro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985155
5-bromo-3-(3-methylbutan-2-yl)-1H-indole
CID 106985167
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole
CID 106985157
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
(2R,3S)-3-(5-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 154809785
1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol
CID 68783636
3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 57147957
3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 139526052
2-(5-fluoro-1H-indol-3-yl)butanedinitrile
CID 71490951

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-methylbutan-2-yl)-1H-indole?
The IUPAC name of 5-fluoro-3-(3-methylbutan-2-yl)-1H-indole (CID 106985153) is 5-fluoro-3-(3-methylbutan-2-yl)-1H-indole.
What is the SMILES notation for 5-fluoro-3-(3-methylbutan-2-yl)-1H-indole?
The canonical SMILES for 5-fluoro-3-(3-methylbutan-2-yl)-1H-indole is CC(C)C(C)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-(3-methylbutan-2-yl)-1H-indole?
The InChIKey is SRPBJHFWXXLFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-8(2)9(3)12-7-15-13-5-4-10(14)6-11(12)13/h4-9,15H,1-3H3.
What are the key properties of 5-fluoro-3-(3-methylbutan-2-yl)-1H-indole?
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole has a molecular weight of 205.28 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(3-methylbutan-2-yl)-1H-indole is sourced from PubChem (CID 106985153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).