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

C11H11F4N — CID 138487672

IUPAC(2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine
SMILESFc1cccc([C@@H]2CC[C@H](C(F)(F)F)N2)c1
InChIInChI=1S/C11H11F4N/c12-8-3-1-2-7(6-8)9-4-5-10(16-9)11(13,14)15/h1-3,6,9-10,16H,4-5H2/t9-,10+/m0/s1
InChIKeyHAMFQCDQWUFXBA-VHSXEESVSA-N
MW233.21 g/mol
LogP3.18
Rot. Bonds1

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

(2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine (PubChem CID 138487672) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is (2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine
PubChem CID138487672
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name(2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine
SMILESFc1cccc([C@@H]2CC[C@H](C(F)(F)F)N2)c1
InChIInChI=1S/C11H11F4N/c12-8-3-1-2-7(6-8)9-4-5-10(16-9)11(13,14)15/h1-3,6,9-10,16H,4-5H2/t9-,10+/m0/s1
InChIKeyHAMFQCDQWUFXBA-VHSXEESVSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine
CID 134199954
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine
CID 138494273
4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol
CID 155132828
2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide
CID 138716656
2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482
ethyl (2R,5S)-5-(3-fluorophenyl)pyrrolidine-2-carboxylate
CID 131887910
[6-(3-fluorophenyl)piperidin-3-yl]methanol
CID 105463010
3-(3-fluorophenyl)-1-methylpyrazolidine
CID 163747853
(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
CID 130642910
2-(3-fluorophenyl)cyclobutan-1-amine
CID 81014796
methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate
CID 24770518
methyl 6-(3-fluorophenyl)piperidine-2-carboxylate
CID 117168179

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine?
The IUPAC name of (2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine (CID 138487672) is (2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine is Fc1cccc([C@@H]2CC[C@H](C(F)(F)F)N2)c1.
What is the InChIKey of (2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine?
The InChIKey is HAMFQCDQWUFXBA-VHSXEESVSA-N. The full InChI is InChI=1S/C11H11F4N/c12-8-3-1-2-7(6-8)9-4-5-10(16-9)11(13,14)15/h1-3,6,9-10,16H,4-5H2/t9-,10+/m0/s1.
What are the key properties of (2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine?
(2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine has a molecular weight of 233.21 g/mol, XLogP of 3.18, 1 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-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 138487672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).