5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole

C15H18FN — CID 169304667

IUPAC5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole
SMILESC=C(C)c1cc2c(ccn2CC(C)C)cc1F
InChIInChI=1S/C15H18FN/c1-10(2)9-17-6-5-12-7-14(16)13(11(3)4)8-15(12)17/h5-8,10H,3,9H2,1-2,4H3
InChIKeyMVKFIFAXSHKJRO-UHFFFAOYSA-N
MW231.31 g/mol
LogP4.47
Rot. Bonds3

About 5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole

5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole (PubChem CID 169304667) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is 5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole.

Molecular Properties

Compound Name5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole
PubChem CID169304667
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole
SMILESC=C(C)c1cc2c(ccn2CC(C)C)cc1F
InChIInChI=1S/C15H18FN/c1-10(2)9-17-6-5-12-7-14(16)13(11(3)4)8-15(12)17/h5-8,10H,3,9H2,1-2,4H3
InChIKeyMVKFIFAXSHKJRO-UHFFFAOYSA-N
XLogP4.47
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-1-(2-methylpropyl)indole-6-carboxylic acid
CID 171845746
1-[(2R)-2-azidopropyl]-5,6-difluoroindole
CID 10657439
[1-(2-methylpropyl)indol-6-yl]methanol
CID 102913005
N,N-dimethyl-1-(2-methylpropyl)indol-5-amine
CID 140929126
(2S)-1-(5-fluoroindol-1-yl)propan-2-ol
CID 54045711
1-[1-(2-methylpropyl)indol-6-yl]ethanamine
CID 115106658
1-(6-fluoroindol-1-yl)propan-2-ol
CID 10488020
2-[1-(2-methylpropyl)indol-5-yl]acetic acid
CID 115106854
1-(2-methylpropyl)-6-phenylindole
CID 166911432
1-[(2S)-2-azidopropyl]-5-fluoro-6-propan-2-ylindole
CID 54453742
3-[1-(2-methylpropyl)indol-6-yl]propanoic acid
CID 115106738
5,6-difluoro-1-propan-2-ylindole
CID 90162254

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole?
The IUPAC name of 5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole (CID 169304667) is 5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole.
What is the SMILES notation for 5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole?
The canonical SMILES for 5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole is C=C(C)c1cc2c(ccn2CC(C)C)cc1F.
What is the InChIKey of 5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole?
The InChIKey is MVKFIFAXSHKJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-10(2)9-17-6-5-12-7-14(16)13(11(3)4)8-15(12)17/h5-8,10H,3,9H2,1-2,4H3.
What are the key properties of 5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole?
5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole has a molecular weight of 231.31 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole is sourced from PubChem (CID 169304667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).