(2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine

C12H18F3N — CID 163485821

IUPAC(2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine
SMILESFC(F)(F)[C@H]1CC=C([C@H]2CCCN2)CCC1
InChIInChI=1S/C12H18F3N/c13-12(14,15)10-4-1-3-9(6-7-10)11-5-2-8-16-11/h6,10-11,16H,1-5,7-8H2/t10-,11-/m1/s1
InChIKeyCIKZGJQMDSCDJG-GHMZBOCLSA-N
MW233.28 g/mol
LogP3.42
Rot. Bonds1

About (2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine

(2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine (PubChem CID 163485821) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is (2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine
PubChem CID163485821
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name(2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine
SMILESFC(F)(F)[C@H]1CC=C([C@H]2CCCN2)CCC1
InChIInChI=1S/C12H18F3N/c13-12(14,15)10-4-1-3-9(6-7-10)11-5-2-8-16-11/h6,10-11,16H,1-5,7-8H2/t10-,11-/m1/s1
InChIKeyCIKZGJQMDSCDJG-GHMZBOCLSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
(2R)-2-[5-(fluoromethyl)-2,5-dihydro-1H-pyrrol-2-yl]-4-(trifluoromethyl)cyclohex-3-en-1-amine
CID 90434015
3-(Trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 118008135
4-Fluoro-2-(3-methylpent-1-en-2-yl)pyrrolidine
CID 123254453
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-diethylpyrrolidine
CID 123310293
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine
CID 123882757
(2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine
CID 131969264
(2S,5R)-2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)pyrrolidine
CID 134199955
2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine
CID 137400808
6-(4-Fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453704
2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine
CID 144984207
2-[4-(1,1-Difluoroethyl)cyclohexa-2,4-dien-1-yl]-4-methylpyrrolidine
CID 145012032

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine?
The IUPAC name of (2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine (CID 163485821) is (2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine?
The canonical SMILES for (2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine is FC(F)(F)[C@H]1CC=C([C@H]2CCCN2)CCC1.
What is the InChIKey of (2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine?
The InChIKey is CIKZGJQMDSCDJG-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H18F3N/c13-12(14,15)10-4-1-3-9(6-7-10)11-5-2-8-16-11/h6,10-11,16H,1-5,7-8H2/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine?
(2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine has a molecular weight of 233.28 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 (2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine is sourced from PubChem (CID 163485821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).