3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane

C14H27FN2 — CID 168838463

IUPAC3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CCN(C(C)(C)CF)CC2
InChIInChI=1S/C14H27FN2/c1-13(2,12-15)17-10-6-14(7-11-17)4-8-16(3)9-5-14/h4-12H2,1-3H3
InChIKeyBKGRPEFKPSTCHR-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.54
Rot. Bonds2

About 3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane

3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane (PubChem CID 168838463) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane
PubChem CID168838463
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CCN(C(C)(C)CF)CC2
InChIInChI=1S/C14H27FN2/c1-13(2,12-15)17-10-6-14(7-11-17)4-8-16(3)9-5-14/h4-12H2,1-3H3
InChIKeyBKGRPEFKPSTCHR-UHFFFAOYSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane (CID 168838463) is 3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane is CN1CCC2(CC1)CCN(C(C)(C)CF)CC2.
What is the InChIKey of 3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane?
The InChIKey is BKGRPEFKPSTCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-13(2,12-15)17-10-6-14(7-11-17)4-8-16(3)9-5-14/h4-12H2,1-3H3.
What are the key properties of 3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane?
3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 242.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 168838463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).