3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole

C9H17FN2 — CID 171531101

IUPAC3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC1CC2(F)CN(C)CC2N1C
InChIInChI=1S/C9H17FN2/c1-7-4-9(10)6-11(2)5-8(9)12(7)3/h7-8H,4-6H2,1-3H3
InChIKeyCNJNTIAPSUMULS-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.73
Rot. Bonds

About 3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole

3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 171531101) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID171531101
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC1CC2(F)CN(C)CC2N1C
InChIInChI=1S/C9H17FN2/c1-7-4-9(10)6-11(2)5-8(9)12(7)3/h7-8H,4-6H2,1-3H3
InChIKeyCNJNTIAPSUMULS-UHFFFAOYSA-N
XLogP0.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole (CID 171531101) is 3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole is CC1CC2(F)CN(C)CC2N1C.
What is the InChIKey of 3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is CNJNTIAPSUMULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-7-4-9(10)6-11(2)5-8(9)12(7)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole?
3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 172.25 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 171531101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).