7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane

C9H13F3N2 — CID 170608177

IUPAC7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane
SMILESC=C(N1CCNC2(CC2)C1)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-7(9(10,11)12)14-5-4-13-8(6-14)2-3-8/h13H,1-6H2
InChIKeyHWSZIBSAQJCTPD-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.50
Rot. Bonds1

About 7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane

7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane (PubChem CID 170608177) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane
PubChem CID170608177
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane
SMILESC=C(N1CCNC2(CC2)C1)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-7(9(10,11)12)14-5-4-13-8(6-14)2-3-8/h13H,1-6H2
InChIKeyHWSZIBSAQJCTPD-UHFFFAOYSA-N
XLogP1.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane?
The IUPAC name of 7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane (CID 170608177) is 7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane is C=C(N1CCNC2(CC2)C1)C(F)(F)F.
What is the InChIKey of 7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane?
The InChIKey is HWSZIBSAQJCTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-7(9(10,11)12)14-5-4-13-8(6-14)2-3-8/h13H,1-6H2.
What are the key properties of 7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane?
7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane has a molecular weight of 206.21 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3,3-trifluoroprop-1-en-2-yl)-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 170608177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).