(3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone

C12H19F2NO2 — CID 134302983

IUPAC(3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone
SMILESCC(C)C1(C(=O)N2CCCOC2)CC(F)(F)C1
InChIInChI=1S/C12H19F2NO2/c1-9(2)11(6-12(13,14)7-11)10(16)15-4-3-5-17-8-15/h9H,3-8H2,1-2H3
InChIKeyRUSAWDNMVHDGQU-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.26
Rot. Bonds2

About (3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone

(3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone (PubChem CID 134302983) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is (3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone
PubChem CID134302983
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Name(3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone
SMILESCC(C)C1(C(=O)N2CCCOC2)CC(F)(F)C1
InChIInChI=1S/C12H19F2NO2/c1-9(2)11(6-12(13,14)7-11)10(16)15-4-3-5-17-8-15/h9H,3-8H2,1-2H3
InChIKeyRUSAWDNMVHDGQU-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone?
The IUPAC name of (3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone (CID 134302983) is (3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone.
What is the SMILES notation for (3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone?
The canonical SMILES for (3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone is CC(C)C1(C(=O)N2CCCOC2)CC(F)(F)C1.
What is the InChIKey of (3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone?
The InChIKey is RUSAWDNMVHDGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2/c1-9(2)11(6-12(13,14)7-11)10(16)15-4-3-5-17-8-15/h9H,3-8H2,1-2H3.
What are the key properties of (3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone?
(3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone has a molecular weight of 247.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 134302983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).