6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane

C12H22FN — CID 177032145

IUPAC6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane
SMILESCCCN1CC2(C1)CC(F)(C(C)C)C2
InChIInChI=1S/C12H22FN/c1-4-5-14-8-11(9-14)6-12(13,7-11)10(2)3/h10H,4-9H2,1-3H3
InChIKeyGODCPAMGQWZFQO-UHFFFAOYSA-N
MW199.31 g/mol
LogP2.86
Rot. Bonds3

About 6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane

6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane (PubChem CID 177032145) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane
PubChem CID177032145
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane
SMILESCCCN1CC2(C1)CC(F)(C(C)C)C2
InChIInChI=1S/C12H22FN/c1-4-5-14-8-11(9-14)6-12(13,7-11)10(2)3/h10H,4-9H2,1-3H3
InChIKeyGODCPAMGQWZFQO-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Cyclobutyl-1-methylazetidine
CID 123403203
3-Fluoro-1-(5-methylhexyl)azetidine
CID 57979613
1-(4,4-Dimethylpentyl)-3-fluoroazetidine
CID 57979627
3-Fluoro-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine
CID 68067663
1-[(3-Ethylcyclobutyl)methyl]-3-fluoroazetidine
CID 68386427
2-Tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane
CID 121308232
6-Fluoro-2,6-dimethyl-2-azaspiro[3.3]heptane
CID 121313305
3-Fluoro-1-[(3-methylcyclobutyl)methyl]azetidine
CID 123383797
3-Ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine
CID 129023583
2-Tert-butyl-7-fluoro-7-methyl-2-azaspiro[3.3]heptane
CID 132040807
2-Tert-butyl-6-fluoro-2-azaspiro[3.3]heptane
CID 132046341
3-(2,2-Dimethylpropyl)-1-ethyl-3-fluoroazetidine
CID 134509559

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane?
The IUPAC name of 6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane (CID 177032145) is 6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane is CCCN1CC2(C1)CC(F)(C(C)C)C2.
What is the InChIKey of 6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane?
The InChIKey is GODCPAMGQWZFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-4-5-14-8-11(9-14)6-12(13,7-11)10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane?
6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane has a molecular weight of 199.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-propan-2-yl-2-propyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 177032145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).