5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane

C16H30F2N2 — CID 144962866

IUPAC5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane
SMILESCC.CN1CC2CN(CC3CCC(F)(F)CC3)CC2C1
InChIInChI=1S/C14H24F2N2.C2H6/c1-17-7-12-9-18(10-13(12)8-17)6-11-2-4-14(15,16)5-3-11;1-2/h11-13H,2-10H2,1H3;1-2H3
InChIKeyGOUFGRQUDQLGAW-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.33
Rot. Bonds2

About 5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane

5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane (PubChem CID 144962866) has the molecular formula C16H30F2N2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane.

Molecular Properties

Compound Name5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane
PubChem CID144962866
Molecular FormulaC16H30F2N2
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane
SMILESCC.CN1CC2CN(CC3CCC(F)(F)CC3)CC2C1
InChIInChI=1S/C14H24F2N2.C2H6/c1-17-7-12-9-18(10-13(12)8-17)6-11-2-4-14(15,16)5-3-11;1-2/h11-13H,2-10H2,1H3;1-2H3
InChIKeyGOUFGRQUDQLGAW-UHFFFAOYSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,6aS)-5-tert-butyl-2-[(4,4-difluorocyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118531454
(3aS,6aR)-2-[(4,4-difluorocyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine
CID 118533762
(3aR,6aS)-5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534936
2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine
CID 123723512
(3aS,6aR)-2-[(4,4-difluorocyclohexyl)methyl]-5-iodo-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 144963084
(3aR,6aS)-2-[(4,4-difluorocyclohexyl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 146201386
6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614747
7,7-difluoro-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine
CID 163614748
2,6,6-trifluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176800860
2-Cyclohexyl-5-(2,2,2-trifluoroethyl)octahydropyrrolo[3,4-c]pyrrole
CID 121185706
2-(Cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)octahydropyrrolo[3,4-c]pyrrole
CID 121185713
2-(4-Methylcyclohexyl)-5-(2,2,2-trifluoroethyl)octahydropyrrolo[3,4-c]pyrrole
CID 121185740

Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane?
The IUPAC name of 5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane (CID 144962866) is 5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane.
What is the SMILES notation for 5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane?
The canonical SMILES for 5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane is CC.CN1CC2CN(CC3CCC(F)(F)CC3)CC2C1.
What is the InChIKey of 5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane?
The InChIKey is GOUFGRQUDQLGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2.C2H6/c1-17-7-12-9-18(10-13(12)8-17)6-11-2-4-14(15,16)5-3-11;1-2/h11-13H,2-10H2,1H3;1-2H3.
What are the key properties of 5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane?
5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane has a molecular weight of 288.43 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane is sourced from PubChem (CID 144962866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).