(2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide

C11H15F2NO — CID 164636755

IUPAC(2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide
SMILESO=C(NCC1CC(F)(F)C1)[C@H]1CC12CC2
InChIInChI=1S/C11H15F2NO/c12-11(13)3-7(4-11)6-14-9(15)8-5-10(8)1-2-10/h7-8H,1-6H2,(H,14,15)/t8-/m1/s1
InChIKeyRUNIIZOSSDAEOM-MRVPVSSYSA-N
MW215.24 g/mol
LogP1.95
Rot. Bonds3

About (2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide

(2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide (PubChem CID 164636755) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide
PubChem CID164636755
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide
SMILESO=C(NCC1CC(F)(F)C1)[C@H]1CC12CC2
InChIInChI=1S/C11H15F2NO/c12-11(13)3-7(4-11)6-14-9(15)8-5-10(8)1-2-10/h7-8H,1-6H2,(H,14,15)/t8-/m1/s1
InChIKeyRUNIIZOSSDAEOM-MRVPVSSYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide?
The IUPAC name of (2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide (CID 164636755) is (2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide?
The canonical SMILES for (2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide is O=C(NCC1CC(F)(F)C1)[C@H]1CC12CC2.
What is the InChIKey of (2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide?
The InChIKey is RUNIIZOSSDAEOM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F2NO/c12-11(13)3-7(4-11)6-14-9(15)8-5-10(8)1-2-10/h7-8H,1-6H2,(H,14,15)/t8-/m1/s1.
What are the key properties of (2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide?
(2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide has a molecular weight of 215.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 164636755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).