3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole

C17H14FNO2 — CID 170874045

IUPAC3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole
SMILESFc1ccc(-c2[nH]c3ccccc3c2C2OCCO2)cc1
InChIInChI=1S/C17H14FNO2/c18-12-7-5-11(6-8-12)16-15(17-20-9-10-21-17)13-3-1-2-4-14(13)19-16/h1-8,17,19H,9-10H2
InChIKeyQHYCCVLOMSTDMX-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.02
Rot. Bonds2

About 3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole

3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole (PubChem CID 170874045) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole
PubChem CID170874045
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole
SMILESFc1ccc(-c2[nH]c3ccccc3c2C2OCCO2)cc1
InChIInChI=1S/C17H14FNO2/c18-12-7-5-11(6-8-12)16-15(17-20-9-10-21-17)13-3-1-2-4-14(13)19-16/h1-8,17,19H,9-10H2
InChIKeyQHYCCVLOMSTDMX-UHFFFAOYSA-N
XLogP4.02
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole
CID 170874148
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574
(3R)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
CID 41066037
3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole
CID 10451802
3-fluoro-2-phenyl-1H-indole
CID 141242496
(3S)-2-[(4-fluorophenyl)methyl]-3-(2-phenyl-1H-indol-3-yl)-3H-isoindol-1-one
CID 41031655
7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine
CID 71504689
(2S)-4-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxylic acid
CID 125120622
4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3946658
6-fluoro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one
CID 131850823
1,2,3,4-tetrakis(4-fluorophenyl)triphenylene
CID 167529952
2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one
CID 132530833

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole (CID 170874045) is 3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole is Fc1ccc(-c2[nH]c3ccccc3c2C2OCCO2)cc1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole?
The InChIKey is QHYCCVLOMSTDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-12-7-5-11(6-8-12)16-15(17-20-9-10-21-17)13-3-1-2-4-14(13)19-16/h1-8,17,19H,9-10H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole?
3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole has a molecular weight of 283.30 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole is sourced from PubChem (CID 170874045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).