[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C22H24FNO — CID 166264185

IUPAC[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCC1(c2cccc(F)c2)CCN(C(=O)C2CCc3ccccc3C2)C1
InChIInChI=1S/C22H24FNO/c1-22(19-7-4-8-20(23)14-19)11-12-24(15-22)21(25)18-10-9-16-5-2-3-6-17(16)13-18/h2-8,14,18H,9-13,15H2,1H3
InChIKeyRXTAWCPTTBHZQN-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.12
Rot. Bonds2

About [3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 166264185) has the molecular formula C22H24FNO and a molecular weight of 337.44 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID166264185
Molecular FormulaC22H24FNO
Molecular Weight337.44 g/mol
Exact Mass337.18
IUPAC Name[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCC1(c2cccc(F)c2)CCN(C(=O)C2CCc3ccccc3C2)C1
InChIInChI=1S/C22H24FNO/c1-22(19-7-4-8-20(23)14-19)11-12-24(15-22)21(25)18-10-9-16-5-2-3-6-17(16)13-18/h2-8,14,18H,9-13,15H2,1H3
InChIKeyRXTAWCPTTBHZQN-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 166264185) is [3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is CC1(c2cccc(F)c2)CCN(C(=O)C2CCc3ccccc3C2)C1.
What is the InChIKey of [3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is RXTAWCPTTBHZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO/c1-22(19-7-4-8-20(23)14-19)11-12-24(15-22)21(25)18-10-9-16-5-2-3-6-17(16)13-18/h2-8,14,18H,9-13,15H2,1H3.
What are the key properties of [3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 337.44 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 166264185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).