5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole

C14H14F3N — CID 144718375

IUPAC5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESFC(F)(F)c1ccccc1C1=CC2CNCC2C1
InChIInChI=1S/C14H14F3N/c15-14(16,17)13-4-2-1-3-12(13)9-5-10-7-18-8-11(10)6-9/h1-5,10-11,18H,6-8H2
InChIKeyVXIKUBYKJCKNOA-UHFFFAOYSA-N
MW253.27 g/mol
LogP3.33
Rot. Bonds1

About 5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole

5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 144718375) has the molecular formula C14H14F3N and a molecular weight of 253.27 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
PubChem CID144718375
Molecular FormulaC14H14F3N
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESFC(F)(F)c1ccccc1C1=CC2CNCC2C1
InChIInChI=1S/C14H14F3N/c15-14(16,17)13-4-2-1-3-12(13)9-5-10-7-18-8-11(10)6-9/h1-5,10-11,18H,6-8H2
InChIKeyVXIKUBYKJCKNOA-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
(3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 140698565
(3aR,6aR)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 130365993
(3aR,6aS)-5-[3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042570
1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene
CID 65177010
3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine
CID 65171992
2-[[5-[2-(trifluoromethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid
CID 123224656
4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine
CID 68801847
5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 77305376
3-[2-(trifluoromethyl)phenyl]sulfanylazetidine
CID 105492427
3-[2,6-bis(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 154791421
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 66212172

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The IUPAC name of 5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (CID 144718375) is 5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The canonical SMILES for 5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is FC(F)(F)c1ccccc1C1=CC2CNCC2C1.
What is the InChIKey of 5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The InChIKey is VXIKUBYKJCKNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N/c15-14(16,17)13-4-2-1-3-12(13)9-5-10-7-18-8-11(10)6-9/h1-5,10-11,18H,6-8H2.
What are the key properties of 5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 253.27 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 144718375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).