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

C11H18F3N — CID 177148663

IUPAC2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC(F)(F)CCCN1CC2CCCC2C1
InChIInChI=1S/C11H18F3N/c12-11(13,14)5-2-6-15-7-9-3-1-4-10(9)8-15/h9-10H,1-8H2
InChIKeyNTOFTVKTJCNSHJ-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.06
Rot. Bonds3

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

2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 177148663) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID177148663
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC(F)(F)CCCN1CC2CCCC2C1
InChIInChI=1S/C11H18F3N/c12-11(13,14)5-2-6-15-7-9-3-1-4-10(9)8-15/h9-10H,1-8H2
InChIKeyNTOFTVKTJCNSHJ-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Launch Full Analysis

Related Compounds

CID 58944866
CID 58944866
5,5-Difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 58944878
2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 127448106
4,4-Difluoro-2-methyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 130611944
4,4-Difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 130612774
2-Ethyl-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 131201154
(3aR,6aS)-4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 132266648
(3aS,6aR)-5,5-difluoro-2-propan-2-yl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 132266652
(3aR,6aS)-2-(trifluoromethylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 135190971
(3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 135190990
(3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 140929495
2-Ethyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 143016501

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 177148663) is 2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is FC(F)(F)CCCN1CC2CCCC2C1.
What is the InChIKey of 2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is NTOFTVKTJCNSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c12-11(13,14)5-2-6-15-7-9-3-1-4-10(9)8-15/h9-10H,1-8H2.
What are the key properties of 2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 221.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 177148663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).