[5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol

C11H11F2NO — CID 175775605

IUPAC[5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol
SMILESOCC1CCC(c2cc(F)ccc2F)=N1
InChIInChI=1S/C11H11F2NO/c12-7-1-3-10(13)9(5-7)11-4-2-8(6-15)14-11/h1,3,5,8,15H,2,4,6H2
InChIKeyPGJNQDCGIGAKHH-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.91
Rot. Bonds2

About [5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol

[5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol (PubChem CID 175775605) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is [5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol
PubChem CID175775605
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name[5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol
SMILESOCC1CCC(c2cc(F)ccc2F)=N1
InChIInChI=1S/C11H11F2NO/c12-7-1-3-10(13)9(5-7)11-4-2-8(6-15)14-11/h1,3,5,8,15H,2,4,6H2
InChIKeyPGJNQDCGIGAKHH-UHFFFAOYSA-N
XLogP1.91
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol?
The IUPAC name of [5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol (CID 175775605) is [5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol.
What is the SMILES notation for [5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol?
The canonical SMILES for [5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol is OCC1CCC(c2cc(F)ccc2F)=N1.
What is the InChIKey of [5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol?
The InChIKey is PGJNQDCGIGAKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c12-7-1-3-10(13)9(5-7)11-4-2-8(6-15)14-11/h1,3,5,8,15H,2,4,6H2.
What are the key properties of [5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol?
[5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol has a molecular weight of 211.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol is sourced from PubChem (CID 175775605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).