[1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C22H30FNO — CID 125181409

IUPAC[1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCc1c(C(=O)C2C(C)(C)C2(C)C)c2ccccc2n1CCCCCF
InChIInChI=1S/C22H30FNO/c1-15-18(19(25)20-21(2,3)22(20,4)5)16-11-7-8-12-17(16)24(15)14-10-6-9-13-23/h7-8,11-12,20H,6,9-10,13-14H2,1-5H3
InChIKeySVBIXYNVVDXJGW-UHFFFAOYSA-N
MW343.49 g/mol
LogP5.95
Rot. Bonds7

About [1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 125181409) has the molecular formula C22H30FNO and a molecular weight of 343.49 g/mol. Its IUPAC name is [1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID125181409
Molecular FormulaC22H30FNO
Molecular Weight343.49 g/mol
Exact Mass343.23
IUPAC Name[1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCc1c(C(=O)C2C(C)(C)C2(C)C)c2ccccc2n1CCCCCF
InChIInChI=1S/C22H30FNO/c1-15-18(19(25)20-21(2,3)22(20,4)5)16-11-7-8-12-17(16)24(15)14-10-6-9-13-23/h7-8,11-12,20H,6,9-10,13-14H2,1-5H3
InChIKeySVBIXYNVVDXJGW-UHFFFAOYSA-N
XLogP5.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 125181409) is [1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is Cc1c(C(=O)C2C(C)(C)C2(C)C)c2ccccc2n1CCCCCF.
What is the InChIKey of [1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is SVBIXYNVVDXJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO/c1-15-18(19(25)20-21(2,3)22(20,4)5)16-11-7-8-12-17(16)24(15)14-10-6-9-13-23/h7-8,11-12,20H,6,9-10,13-14H2,1-5H3.
What are the key properties of [1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 343.49 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoropentyl)-2-methylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 125181409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).