4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane

C12H21F3N2 — CID 129212928

IUPAC4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane
SMILESCC(C)N1CCN(CCC(F)(F)F)CC12CC2
InChIInChI=1S/C12H21F3N2/c1-10(2)17-8-7-16(6-5-12(13,14)15)9-11(17)3-4-11/h10H,3-9H2,1-2H3
InChIKeyKWGJKBIOICLDDH-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.50
Rot. Bonds3

About 4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane

4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane (PubChem CID 129212928) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane
PubChem CID129212928
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane
SMILESCC(C)N1CCN(CCC(F)(F)F)CC12CC2
InChIInChI=1S/C12H21F3N2/c1-10(2)17-8-7-16(6-5-12(13,14)15)9-11(17)3-4-11/h10H,3-9H2,1-2H3
InChIKeyKWGJKBIOICLDDH-UHFFFAOYSA-N
XLogP2.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane?
The IUPAC name of 4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane (CID 129212928) is 4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane is CC(C)N1CCN(CCC(F)(F)F)CC12CC2.
What is the InChIKey of 4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane?
The InChIKey is KWGJKBIOICLDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-10(2)17-8-7-16(6-5-12(13,14)15)9-11(17)3-4-11/h10H,3-9H2,1-2H3.
What are the key properties of 4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane?
4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane has a molecular weight of 250.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-7-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 129212928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).