2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane

C12H22F2N2 — CID 154671365

IUPAC2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCCN1CC2(CCN(C(C)C)CC2(F)F)C1
InChIInChI=1S/C12H22F2N2/c1-4-15-7-11(8-15)5-6-16(10(2)3)9-12(11,13)14/h10H,4-9H2,1-3H3
InChIKeyREPCSWHMMWQSGE-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.06
Rot. Bonds2

About 2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane

2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 154671365) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
PubChem CID154671365
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCCN1CC2(CCN(C(C)C)CC2(F)F)C1
InChIInChI=1S/C12H22F2N2/c1-4-15-7-11(8-15)5-6-16(10(2)3)9-12(11,13)14/h10H,4-9H2,1-3H3
InChIKeyREPCSWHMMWQSGE-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (CID 154671365) is 2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is CCN1CC2(CCN(C(C)C)CC2(F)F)C1.
What is the InChIKey of 2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is REPCSWHMMWQSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-4-15-7-11(8-15)5-6-16(10(2)3)9-12(11,13)14/h10H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 232.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-difluoro-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154671365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).