4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C11H19F3N2 — CID 115514940

IUPAC4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1CCCC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-8-10-6-15-5-9(10)7-16(8)4-2-3-11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyJQUCUVCDKBOUBD-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.87
Rot. Bonds3

About 4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 115514940) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID115514940
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1CCCC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-8-10-6-15-5-9(10)7-16(8)4-2-3-11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyJQUCUVCDKBOUBD-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209230
4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-1-ol
CID 66209592
4-methyl-5-octyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210882
N,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide
CID 66208055
5-(3-chloroprop-2-enyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 77114848
1-fluoro-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-2-ol
CID 131181807
3,3,3-trifluoro-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one
CID 66213431
5-[(3,5-difluorophenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 105404951
(2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine
CID 82756199
4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107045290
5-[(2-fluorophenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210692
4-methyl-5-(pyrimidin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208651

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 115514940) is 4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1CCCC(F)(F)F.
What is the InChIKey of 4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is JQUCUVCDKBOUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-8-10-6-15-5-9(10)7-16(8)4-2-3-11(12,13)14/h8-10,15H,2-7H2,1H3.
What are the key properties of 4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 236.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 115514940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).