(2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine

C12H13F4N — CID 134199954

IUPAC(2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine
SMILESFc1cccc([C@@H]2CC[C@H](CC(F)(F)F)N2)c1
InChIInChI=1S/C12H13F4N/c13-9-3-1-2-8(6-9)11-5-4-10(17-11)7-12(14,15)16/h1-3,6,10-11,17H,4-5,7H2/t10-,11+/m1/s1
InChIKeyCILZHYZZUOCCGI-MNOVXSKESA-N
MW247.23 g/mol
LogP3.57
Rot. Bonds2

About (2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine

(2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 134199954) has the molecular formula C12H13F4N and a molecular weight of 247.23 g/mol. Its IUPAC name is (2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID134199954
Molecular FormulaC12H13F4N
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name(2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine
SMILESFc1cccc([C@@H]2CC[C@H](CC(F)(F)F)N2)c1
InChIInChI=1S/C12H13F4N/c13-9-3-1-2-8(6-9)11-5-4-10(17-11)7-12(14,15)16/h1-3,6,10-11,17H,4-5,7H2/t10-,11+/m1/s1
InChIKeyCILZHYZZUOCCGI-MNOVXSKESA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine
CID 138494273
(2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine
CID 138487672
2-butyl-5-(3-fluorophenyl)pyrrolidine;ethane;methane;4-methylbenzenethiol
CID 143934339
4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol
CID 155132828
ethyl (2R,5S)-5-(3-fluorophenyl)pyrrolidine-2-carboxylate
CID 131887910
2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482
[6-(3-fluorophenyl)piperidin-3-yl]methanol
CID 105463010
2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide
CID 138716656
(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
CID 130642910
3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide
CID 66217456
[5-(3-fluorophenyl)piperidin-2-yl]methanol
CID 117000449
3-(3-fluorophenyl)-1-methylpyrazolidine
CID 163747853

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of (2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine (CID 134199954) is (2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for (2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for (2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine is Fc1cccc([C@@H]2CC[C@H](CC(F)(F)F)N2)c1.
What is the InChIKey of (2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is CILZHYZZUOCCGI-MNOVXSKESA-N. The full InChI is InChI=1S/C12H13F4N/c13-9-3-1-2-8(6-9)11-5-4-10(17-11)7-12(14,15)16/h1-3,6,10-11,17H,4-5,7H2/t10-,11+/m1/s1.
What are the key properties of (2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine?
(2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 247.23 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 134199954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).