(3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

C10H13F2NO — CID 175807923

IUPAC(3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CC(F)(F)C1)N1CC=CCC1
InChIInChI=1S/C10H13F2NO/c11-10(12)6-8(7-10)9(14)13-4-2-1-3-5-13/h1-2,8H,3-7H2
InChIKeyCHJQIOGGXHZWKJ-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.82
Rot. Bonds1

About (3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

(3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 175807923) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID175807923
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CC(F)(F)C1)N1CC=CCC1
InChIInChI=1S/C10H13F2NO/c11-10(12)6-8(7-10)9(14)13-4-2-1-3-5-13/h1-2,8H,3-7H2
InChIKeyCHJQIOGGXHZWKJ-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 175807923) is (3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(C1CC(F)(F)C1)N1CC=CCC1.
What is the InChIKey of (3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is CHJQIOGGXHZWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-10(12)6-8(7-10)9(14)13-4-2-1-3-5-13/h1-2,8H,3-7H2.
What are the key properties of (3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 201.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 175807923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).