1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine

C11H11FN2 — CID 130000362

IUPAC1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine
SMILESC=CC(N)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C11H11FN2/c1-2-9(13)11-6-7-8(12)4-3-5-10(7)14-11/h2-6,9,14H,1,13H2
InChIKeySMCUFGKFUJJGJZ-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.49
Rot. Bonds2

About 1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine

1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine (PubChem CID 130000362) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine
PubChem CID130000362
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine
SMILESC=CC(N)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C11H11FN2/c1-2-9(13)11-6-7-8(12)4-3-5-10(7)14-11/h2-6,9,14H,1,13H2
InChIKeySMCUFGKFUJJGJZ-UHFFFAOYSA-N
XLogP2.49
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine?
The IUPAC name of 1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine (CID 130000362) is 1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine is C=CC(N)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of 1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine?
The InChIKey is SMCUFGKFUJJGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-2-9(13)11-6-7-8(12)4-3-5-10(7)14-11/h2-6,9,14H,1,13H2.
What are the key properties of 1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine?
1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine has a molecular weight of 190.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 130000362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).