(3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C14H16F3N — CID 140698565

IUPAC(3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESFC(F)(F)c1ccccc1C1C[C@@H]2CNC[C@H]2C1
InChIInChI=1S/C14H16F3N/c15-14(16,17)13-4-2-1-3-12(13)9-5-10-7-18-8-11(10)6-9/h1-4,9-11,18H,5-8H2/t10-,11-/m1/s1
InChIKeyGHMQSHBSFJBABY-GHMZBOCLSA-N
MW255.28 g/mol
LogP3.42
Rot. Bonds1

About (3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

(3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 140698565) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is (3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID140698565
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name(3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESFC(F)(F)c1ccccc1C1C[C@@H]2CNC[C@H]2C1
InChIInChI=1S/C14H16F3N/c15-14(16,17)13-4-2-1-3-12(13)9-5-10-7-18-8-11(10)6-9/h1-4,9-11,18H,5-8H2/t10-,11-/m1/s1
InChIKeyGHMQSHBSFJBABY-GHMZBOCLSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole with MolForge

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Related Compounds

(3aR,6aR)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 130365993
(3aR,6aS)-5-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 118674791
methyl (3R,5R)-5-[2-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 99942672
(1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 11232816
4-[2-(trifluoromethyl)phenyl]oxane
CID 90852424
5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 156800900
(1S,2S,4S)-4-[2-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 139433627
3-[2,6-bis(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 154791421
1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene
CID 130539881
trans-(1S,2S)-4-[2-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;dihydrochloride
CID 161413657
1-chloro-3-[2-(trifluoromethyl)phenyl]cycloheptane
CID 64507732
2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide
CID 175757308

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of (3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 140698565) is (3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for (3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for (3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is FC(F)(F)c1ccccc1C1C[C@@H]2CNC[C@H]2C1.
What is the InChIKey of (3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is GHMQSHBSFJBABY-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H16F3N/c15-14(16,17)13-4-2-1-3-12(13)9-5-10-7-18-8-11(10)6-9/h1-4,9-11,18H,5-8H2/t10-,11-/m1/s1.
What are the key properties of (3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
(3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 255.28 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 140698565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).