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2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate

C19H27FN2O2 — CID 155875064

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
SMILESCc1ccccc1CN1CCC2(CC1)CC(NC(=O)OCCF)C2
InChIInChI=1S/C19H27FN2O2/c1-15-4-2-3-5-16(15)14-22-9-6-19(7-10-22)12-17(13-19)21-18(23)24-11-8-20/h2-5,17H,6-14H2,1H3,(H,21,23)
InChIKeyAWLWEQNWJBJWNG-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.44
Rot. Bonds5

About 2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate

2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate (PubChem CID 155875064) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
PubChem CID155875064
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
SMILESCc1ccccc1CN1CCC2(CC1)CC(NC(=O)OCCF)C2
InChIInChI=1S/C19H27FN2O2/c1-15-4-2-3-5-16(15)14-22-9-6-19(7-10-22)12-17(13-19)21-18(23)24-11-8-20/h2-5,17H,6-14H2,1H3,(H,21,23)
InChIKeyAWLWEQNWJBJWNG-UHFFFAOYSA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The IUPAC name of 2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate (CID 155875064) is 2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate is Cc1ccccc1CN1CCC2(CC1)CC(NC(=O)OCCF)C2.
What is the InChIKey of 2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The InChIKey is AWLWEQNWJBJWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-15-4-2-3-5-16(15)14-22-9-6-19(7-10-22)12-17(13-19)21-18(23)24-11-8-20/h2-5,17H,6-14H2,1H3,(H,21,23).
What are the key properties of 2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate has a molecular weight of 334.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate is sourced from PubChem (CID 155875064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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