N-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide

C16H22F2N2O2 — CID 131687180

IUPACN-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
SMILESO=C(NC1CC2(CCN(C(=O)C3CC(F)(F)C3)C2)C1)C1CC1
InChIInChI=1S/C16H22F2N2O2/c17-16(18)5-11(6-16)14(22)20-4-3-15(9-20)7-12(8-15)19-13(21)10-1-2-10/h10-12H,1-9H2,(H,19,21)
InChIKeyVBBQBIBYBBGKRK-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.94
Rot. Bonds3

About N-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide

N-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide (PubChem CID 131687180) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
PubChem CID131687180
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
SMILESO=C(NC1CC2(CCN(C(=O)C3CC(F)(F)C3)C2)C1)C1CC1
InChIInChI=1S/C16H22F2N2O2/c17-16(18)5-11(6-16)14(22)20-4-3-15(9-20)7-12(8-15)19-13(21)10-1-2-10/h10-12H,1-9H2,(H,19,21)
InChIKeyVBBQBIBYBBGKRK-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide (CID 131687180) is N-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide is O=C(NC1CC2(CCN(C(=O)C3CC(F)(F)C3)C2)C1)C1CC1.
What is the InChIKey of N-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The InChIKey is VBBQBIBYBBGKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c17-16(18)5-11(6-16)14(22)20-4-3-15(9-20)7-12(8-15)19-13(21)10-1-2-10/h10-12H,1-9H2,(H,19,21).
What are the key properties of N-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
N-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide has a molecular weight of 312.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 131687180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).