2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide

C12H16F3N3O2 — CID 175981334

IUPAC2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide
SMILESNC(=O)C1CNCC12CN(C(=O)C1(C(F)(F)F)CC1)C2
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)11(1-2-11)9(20)18-5-10(6-18)4-17-3-7(10)8(16)19/h7,17H,1-6H2,(H2,16,19)
InChIKeyPQDAZCPFRCCCBD-UHFFFAOYSA-N
MW291.27 g/mol
LogP-0.14
Rot. Bonds2

About 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide

2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide (PubChem CID 175981334) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide
PubChem CID175981334
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide
SMILESNC(=O)C1CNCC12CN(C(=O)C1(C(F)(F)F)CC1)C2
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)11(1-2-11)9(20)18-5-10(6-18)4-17-3-7(10)8(16)19/h7,17H,1-6H2,(H2,16,19)
InChIKeyPQDAZCPFRCCCBD-UHFFFAOYSA-N
XLogP-0.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide?
The IUPAC name of 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide (CID 175981334) is 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide.
What is the SMILES notation for 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide?
The canonical SMILES for 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide is NC(=O)C1CNCC12CN(C(=O)C1(C(F)(F)F)CC1)C2.
What is the InChIKey of 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide?
The InChIKey is PQDAZCPFRCCCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c13-12(14,15)11(1-2-11)9(20)18-5-10(6-18)4-17-3-7(10)8(16)19/h7,17H,1-6H2,(H2,16,19).
What are the key properties of 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide?
2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide has a molecular weight of 291.27 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide is sourced from PubChem (CID 175981334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).