1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole

C20H22FNO2 — CID 54383300

IUPAC1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole
SMILESCCCN1Cc2ccccc2C1C1(c2ccc(F)cc2)OCCO1
InChIInChI=1S/C20H22FNO2/c1-2-11-22-14-15-5-3-4-6-18(15)19(22)20(23-12-13-24-20)16-7-9-17(21)10-8-16/h3-10,19H,2,11-14H2,1H3
InChIKeyVBLXEIHWEQHLCH-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.99
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole

1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole (PubChem CID 54383300) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole
PubChem CID54383300
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole
SMILESCCCN1Cc2ccccc2C1C1(c2ccc(F)cc2)OCCO1
InChIInChI=1S/C20H22FNO2/c1-2-11-22-14-15-5-3-4-6-18(15)19(22)20(23-12-13-24-20)16-7-9-17(21)10-8-16/h3-10,19H,2,11-14H2,1H3
InChIKeyVBLXEIHWEQHLCH-UHFFFAOYSA-N
XLogP3.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 24781900
1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 24782049
1-methoxy-1'-(4-phenylbutyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 24782050
1'-[3-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]propyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 54585396
2-[3-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1,3-dihydroisoindole
CID 9840354
3-Benzyl-7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane
CID 13146668
N-benzyl-N-ethyl-3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 20283048
N-benzyl-3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine
CID 20283050
6-benzyl-5-ethyl-1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butyl]-4-methyl-3,6-dihydro-2H-pyridine
CID 21543456
CID 53865405
CID 53865405
CID 54470364
CID 54470364
1-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 68912801

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole?
The IUPAC name of 1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole (CID 54383300) is 1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole?
The canonical SMILES for 1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole is CCCN1Cc2ccccc2C1C1(c2ccc(F)cc2)OCCO1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole?
The InChIKey is VBLXEIHWEQHLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-2-11-22-14-15-5-3-4-6-18(15)19(22)20(23-12-13-24-20)16-7-9-17(21)10-8-16/h3-10,19H,2,11-14H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole?
1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole has a molecular weight of 327.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-propyl-1,3-dihydroisoindole is sourced from PubChem (CID 54383300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).