2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane

C11H21FN2 — CID 155740900

IUPAC2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CCC2(CC1)CN(CF)C2
InChIInChI=1S/C11H21FN2/c1-2-5-13-6-3-11(4-7-13)8-14(9-11)10-12/h2-10H2,1H3
InChIKeyDJWPZOULECLGCH-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.72
Rot. Bonds3

About 2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane

2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane (PubChem CID 155740900) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane
PubChem CID155740900
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CCC2(CC1)CN(CF)C2
InChIInChI=1S/C11H21FN2/c1-2-5-13-6-3-11(4-7-13)8-14(9-11)10-12/h2-10H2,1H3
InChIKeyDJWPZOULECLGCH-UHFFFAOYSA-N
XLogP1.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

7-Methyl-2,7-diazaspiro[3.5]nonane
CID 10997117
1-(2,2-Dimethylpropyl)-4-fluoro-4-methylpiperidine
CID 58266783
4-(2,2-Dimethylpropyl)-1-ethyl-4-fluoropiperidine
CID 58530447
4-(2,2-Dimethylpropyl)-4-fluoro-1-methylpiperidine
CID 58530588
4-(2,2-Dimethylpropyl)-4-fluoro-1-propylpiperidine
CID 58530744
1-(3,3-Dimethylbutyl)-3-fluoropiperidine
CID 58530907
4-Ethyl-4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 68260651
4,4-Dimethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 68260750
4,4-Dimethyl-1-(3,3,3-trifluoropropyl)piperidine
CID 69928970
1-(3,3-Dimethylbutyl)-4-fluoropiperidine
CID 117704664
1-(4,4-Dimethylpentyl)-4-fluoro-4-methylpiperidine
CID 117715182
1-(3-Fluorocyclobutyl)-4,4-dimethylpiperidine
CID 118492182

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane (CID 155740900) is 2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane is CCCN1CCC2(CC1)CN(CF)C2.
What is the InChIKey of 2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is DJWPZOULECLGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-2-5-13-6-3-11(4-7-13)8-14(9-11)10-12/h2-10H2,1H3.
What are the key properties of 2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane?
2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 200.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 155740900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).