6-fluoro-1-pent-4-ynylindole

C13H12FN — CID 116620040

IUPAC6-fluoro-1-pent-4-ynylindole
SMILESC#CCCCn1ccc2ccc(F)cc21
InChIInChI=1S/C13H12FN/c1-2-3-4-8-15-9-7-11-5-6-12(14)10-13(11)15/h1,5-7,9-10H,3-4,8H2
InChIKeyPTYDLMBEKQXOOA-UHFFFAOYSA-N
MW201.24 g/mol
LogP3.19
Rot. Bonds3

About 6-fluoro-1-pent-4-ynylindole

6-fluoro-1-pent-4-ynylindole (PubChem CID 116620040) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is 6-fluoro-1-pent-4-ynylindole.

Molecular Properties

Compound Name6-fluoro-1-pent-4-ynylindole
PubChem CID116620040
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC Name6-fluoro-1-pent-4-ynylindole
SMILESC#CCCCn1ccc2ccc(F)cc21
InChIInChI=1S/C13H12FN/c1-2-3-4-8-15-9-7-11-5-6-12(14)10-13(11)15/h1,5-7,9-10H,3-4,8H2
InChIKeyPTYDLMBEKQXOOA-UHFFFAOYSA-N
XLogP3.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-1-nonylindole
CID 116619867
3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine
CID 62564082
6-(6-fluoroindol-1-yl)hexan-2-one
CID 62025777
3-(6-fluoroindol-1-yl)propanal
CID 63040201
N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine
CID 55087843
cobalt;1-ethyl-6-fluoroindole
CID 58657570
(1-but-3-ynylindol-6-yl)methanol
CID 102913204
2-(6-fluoroindol-1-yl)acetaldehyde
CID 62025779
1-but-3-ynylindole-6-carboxylic acid
CID 63750392
2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine
CID 62564083
2-(6-fluoroindol-1-yl)acetic acid
CID 6498201
1-[2-(6-fluoroindol-1-yl)ethyl]pyrazol-3-amine
CID 63316022

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-pent-4-ynylindole?
The IUPAC name of 6-fluoro-1-pent-4-ynylindole (CID 116620040) is 6-fluoro-1-pent-4-ynylindole.
What is the SMILES notation for 6-fluoro-1-pent-4-ynylindole?
The canonical SMILES for 6-fluoro-1-pent-4-ynylindole is C#CCCCn1ccc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-pent-4-ynylindole?
The InChIKey is PTYDLMBEKQXOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN/c1-2-3-4-8-15-9-7-11-5-6-12(14)10-13(11)15/h1,5-7,9-10H,3-4,8H2.
What are the key properties of 6-fluoro-1-pent-4-ynylindole?
6-fluoro-1-pent-4-ynylindole has a molecular weight of 201.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-pent-4-ynylindole is sourced from PubChem (CID 116620040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).