2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane

C14H26FN — CID 176558603

IUPAC2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CC1)CC(F)(C(C)C)C2
InChIInChI=1S/C14H26FN/c1-11(2)14(15)9-13(10-14)5-7-16(8-6-13)12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyVSLAHVHMQOOTPC-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.64
Rot. Bonds2

About 2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane

2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane (PubChem CID 176558603) has the molecular formula C14H26FN and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane
PubChem CID176558603
Molecular FormulaC14H26FN
Molecular Weight227.37 g/mol
Exact Mass227.20
IUPAC Name2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CC1)CC(F)(C(C)C)C2
InChIInChI=1S/C14H26FN/c1-11(2)14(15)9-13(10-14)5-7-16(8-6-13)12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyVSLAHVHMQOOTPC-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane?
The IUPAC name of 2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane (CID 176558603) is 2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane is CC(C)N1CCC2(CC1)CC(F)(C(C)C)C2.
What is the InChIKey of 2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane?
The InChIKey is VSLAHVHMQOOTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN/c1-11(2)14(15)9-13(10-14)5-7-16(8-6-13)12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane?
2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane has a molecular weight of 227.37 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 176558603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).