[(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol

C11H13F2NO — CID 25220544

IUPAC[(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CNC[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO/c12-8-1-2-11(13)9(3-8)10-5-14-4-7(10)6-15/h1-3,7,10,14-15H,4-6H2/t7-,10+/m0/s1
InChIKeyVWUALDZGFPMIST-OIBJUYFYSA-N
MW213.23 g/mol
LogP1.26
Rot. Bonds2

About [(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol

[(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol (PubChem CID 25220544) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is [(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol
PubChem CID25220544
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name[(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CNC[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO/c12-8-1-2-11(13)9(3-8)10-5-14-4-7(10)6-15/h1-3,7,10,14-15H,4-6H2/t7-,10+/m0/s1
InChIKeyVWUALDZGFPMIST-OIBJUYFYSA-N
XLogP1.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol (CID 25220544) is [(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol is OC[C@@H]1CNC[C@H]1c1cc(F)ccc1F.
What is the InChIKey of [(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is VWUALDZGFPMIST-OIBJUYFYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-8-1-2-11(13)9(3-8)10-5-14-4-7(10)6-15/h1-3,7,10,14-15H,4-6H2/t7-,10+/m0/s1.
What are the key properties of [(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol?
[(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 213.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 25220544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).