(2-fluorophenyl) 3-indol-1-ylpropanoate

C17H14FNO2 — CID 86919496

IUPAC(2-fluorophenyl) 3-indol-1-ylpropanoate
SMILESO=C(CCn1ccc2ccccc21)Oc1ccccc1F
InChIInChI=1S/C17H14FNO2/c18-14-6-2-4-8-16(14)21-17(20)10-12-19-11-9-13-5-1-3-7-15(13)19/h1-9,11H,10,12H2
InChIKeyMVTFHIVMMFGYMT-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.78
Rot. Bonds4

About (2-fluorophenyl) 3-indol-1-ylpropanoate

(2-fluorophenyl) 3-indol-1-ylpropanoate (PubChem CID 86919496) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is (2-fluorophenyl) 3-indol-1-ylpropanoate.

Molecular Properties

Compound Name(2-fluorophenyl) 3-indol-1-ylpropanoate
PubChem CID86919496
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name(2-fluorophenyl) 3-indol-1-ylpropanoate
SMILESO=C(CCn1ccc2ccccc21)Oc1ccccc1F
InChIInChI=1S/C17H14FNO2/c18-14-6-2-4-8-16(14)21-17(20)10-12-19-11-9-13-5-1-3-7-15(13)19/h1-9,11H,10,12H2
InChIKeyMVTFHIVMMFGYMT-UHFFFAOYSA-N
XLogP3.78
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-fluorophenyl) hexanedioate
CID 91704928
1-O-(2-fluorophenyl) 5-O-naphthalen-1-yl pentanedioate
CID 91718911
(2-fluorophenyl) 3-sulfanylpropanoate
CID 86052202
N-(2,4-difluorophenyl)-3-indol-1-ylpropanamide
CID 9209396
(1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate
CID 86906520
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate
CID 40667880
pyridin-3-ylmethyl 3-indol-1-ylpropanoate
CID 23203254
1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid
CID 58213856
1-O-cyclopentyl 4-O-(2-fluorophenyl) butanedioate
CID 91705018
3-(3-indol-1-ylpropanoylamino)-2-methylpropanoic acid
CID 119236973
1-[2-(2-indol-1-ylethoxy)phenyl]ethanone
CID 62025183

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 3-indol-1-ylpropanoate?
The IUPAC name of (2-fluorophenyl) 3-indol-1-ylpropanoate (CID 86919496) is (2-fluorophenyl) 3-indol-1-ylpropanoate.
What is the SMILES notation for (2-fluorophenyl) 3-indol-1-ylpropanoate?
The canonical SMILES for (2-fluorophenyl) 3-indol-1-ylpropanoate is O=C(CCn1ccc2ccccc21)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 3-indol-1-ylpropanoate?
The InChIKey is MVTFHIVMMFGYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-14-6-2-4-8-16(14)21-17(20)10-12-19-11-9-13-5-1-3-7-15(13)19/h1-9,11H,10,12H2.
What are the key properties of (2-fluorophenyl) 3-indol-1-ylpropanoate?
(2-fluorophenyl) 3-indol-1-ylpropanoate has a molecular weight of 283.30 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 3-indol-1-ylpropanoate is sourced from PubChem (CID 86919496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).