6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane

C12H22FN — CID 175081538

IUPAC6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane
SMILESCC1CC12CCN(C(C)(C)C)CC2F
InChIInChI=1S/C12H22FN/c1-9-7-12(9)5-6-14(8-10(12)13)11(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyBSHNFYYDJLDHDH-UHFFFAOYSA-N
MW199.31 g/mol
LogP2.85
Rot. Bonds

About 6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane

6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane (PubChem CID 175081538) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane
PubChem CID175081538
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane
SMILESCC1CC12CCN(C(C)(C)C)CC2F
InChIInChI=1S/C12H22FN/c1-9-7-12(9)5-6-14(8-10(12)13)11(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyBSHNFYYDJLDHDH-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane?
The IUPAC name of 6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane (CID 175081538) is 6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane?
The canonical SMILES for 6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane is CC1CC12CCN(C(C)(C)C)CC2F.
What is the InChIKey of 6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane?
The InChIKey is BSHNFYYDJLDHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-9-7-12(9)5-6-14(8-10(12)13)11(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane?
6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane has a molecular weight of 199.31 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane is sourced from PubChem (CID 175081538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).