1-(3-fluoropropyl)indole

C11H12FN — CID 81113690

IUPAC1-(3-fluoropropyl)indole
SMILESFCCCn1ccc2ccccc21
InChIInChI=1S/C11H12FN/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,7-8H2
InChIKeyMZRXSPNABOAWCE-UHFFFAOYSA-N
MW177.22 g/mol
LogP3.00
Rot. Bonds3

About 1-(3-fluoropropyl)indole

1-(3-fluoropropyl)indole (PubChem CID 81113690) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 1-(3-fluoropropyl)indole.

Molecular Properties

Compound Name1-(3-fluoropropyl)indole
PubChem CID81113690
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name1-(3-fluoropropyl)indole
SMILESFCCCn1ccc2ccccc21
InChIInChI=1S/C11H12FN/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,7-8H2
InChIKeyMZRXSPNABOAWCE-UHFFFAOYSA-N
XLogP3.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoroethyl)indole
CID 80694500
3-indol-1-ylpropan-1-amine
CID 2512786
1-(3-iodopropyl)indole
CID 11323600
3-indol-1-ylpropane-1-thiol
CID 139540347
CID 58655955
CID 58655955
1-(4-imidazol-1-ylbutyl)indole
CID 151284685
1-(3-ethylsulfonylpropyl)indole
CID 65097244
1-[(E)-5-bromopent-4-enyl]indole
CID 154723220
1-(2-phenylethyl)indole
CID 12601752
acetic acid;1-butylindole
CID 162326365
1-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 3018029
1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine
CID 102868118

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)indole?
The IUPAC name of 1-(3-fluoropropyl)indole (CID 81113690) is 1-(3-fluoropropyl)indole.
What is the SMILES notation for 1-(3-fluoropropyl)indole?
The canonical SMILES for 1-(3-fluoropropyl)indole is FCCCn1ccc2ccccc21.
What is the InChIKey of 1-(3-fluoropropyl)indole?
The InChIKey is MZRXSPNABOAWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,7-8H2.
What are the key properties of 1-(3-fluoropropyl)indole?
1-(3-fluoropropyl)indole has a molecular weight of 177.22 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)indole is sourced from PubChem (CID 81113690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).