5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C11H21FN2 — CID 163465482

IUPAC5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC(C)C(CF)N1CC2CNCC2C1
InChIInChI=1S/C11H21FN2/c1-8(2)11(3-12)14-6-9-4-13-5-10(9)7-14/h8-11,13H,3-7H2,1-2H3
InChIKeyBSFPXNGMZSQFFB-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.13
Rot. Bonds3

About 5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 163465482) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID163465482
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC(C)C(CF)N1CC2CNCC2C1
InChIInChI=1S/C11H21FN2/c1-8(2)11(3-12)14-6-9-4-13-5-10(9)7-14/h8-11,13H,3-7H2,1-2H3
InChIKeyBSFPXNGMZSQFFB-UHFFFAOYSA-N
XLogP1.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 163465482) is 5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC(C)C(CF)N1CC2CNCC2C1.
What is the InChIKey of 5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is BSFPXNGMZSQFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-8(2)11(3-12)14-6-9-4-13-5-10(9)7-14/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 200.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 163465482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).