4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C12H22F2N2 — CID 176558272

IUPAC4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CC(F)(F)C2(CCN(C)CC2)C1
InChIInChI=1S/C12H22F2N2/c1-10(2)16-8-11(12(13,14)9-16)4-6-15(3)7-5-11/h10H,4-9H2,1-3H3
InChIKeyYNHNDOHHYIZKKF-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.06
Rot. Bonds1

About 4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane

4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 176558272) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID176558272
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CC(F)(F)C2(CCN(C)CC2)C1
InChIInChI=1S/C12H22F2N2/c1-10(2)16-8-11(12(13,14)9-16)4-6-15(3)7-5-11/h10H,4-9H2,1-3H3
InChIKeyYNHNDOHHYIZKKF-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 176558272) is 4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane is CC(C)N1CC(F)(F)C2(CCN(C)CC2)C1.
What is the InChIKey of 4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is YNHNDOHHYIZKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-10(2)16-8-11(12(13,14)9-16)4-6-15(3)7-5-11/h10H,4-9H2,1-3H3.
What are the key properties of 4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 232.32 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 176558272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).