(2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine

C11H13F2NO — CID 175530284

IUPAC(2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(F)cc1[C@@H]1CC(F)CN1
InChIInChI=1S/C11H13F2NO/c1-15-11-3-2-7(12)4-9(11)10-5-8(13)6-14-10/h2-4,8,10,14H,5-6H2,1H3/t8?,10-/m0/s1
InChIKeyPDHOARUZICVYLA-HTLJXXAVSA-N
MW213.23 g/mol
LogP2.21
Rot. Bonds2

About (2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine

(2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine (PubChem CID 175530284) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is (2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
PubChem CID175530284
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(F)cc1[C@@H]1CC(F)CN1
InChIInChI=1S/C11H13F2NO/c1-15-11-3-2-7(12)4-9(11)10-5-8(13)6-14-10/h2-4,8,10,14H,5-6H2,1H3/t8?,10-/m0/s1
InChIKeyPDHOARUZICVYLA-HTLJXXAVSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane
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(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
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4-fluoro-2-(2-fluorophenyl)pyrrolidine
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5-(5-fluoro-2-methoxyphenyl)piperidin-2-one
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3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
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Frequently Asked Questions

What is the IUPAC name of (2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
The IUPAC name of (2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine (CID 175530284) is (2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine.
What is the SMILES notation for (2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
The canonical SMILES for (2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine is COc1ccc(F)cc1[C@@H]1CC(F)CN1.
What is the InChIKey of (2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
The InChIKey is PDHOARUZICVYLA-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-15-11-3-2-7(12)4-9(11)10-5-8(13)6-14-10/h2-4,8,10,14H,5-6H2,1H3/t8?,10-/m0/s1.
What are the key properties of (2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
(2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine has a molecular weight of 213.23 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 175530284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).