(2,6-difluoro-3-pyrrol-1-ylphenyl)methanol

C11H9F2NO — CID 15581757

IUPAC(2,6-difluoro-3-pyrrol-1-ylphenyl)methanol
SMILESOCc1c(F)ccc(-n2cccc2)c1F
InChIInChI=1S/C11H9F2NO/c12-9-3-4-10(11(13)8(9)7-15)14-5-1-2-6-14/h1-6,15H,7H2
InChIKeyLBKYHUDULBAUMI-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.25
Rot. Bonds2

About (2,6-difluoro-3-pyrrol-1-ylphenyl)methanol

(2,6-difluoro-3-pyrrol-1-ylphenyl)methanol (PubChem CID 15581757) has the molecular formula C11H9F2NO and a molecular weight of 209.19 g/mol. Its IUPAC name is (2,6-difluoro-3-pyrrol-1-ylphenyl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-pyrrol-1-ylphenyl)methanol
PubChem CID15581757
Molecular FormulaC11H9F2NO
Molecular Weight209.19 g/mol
Exact Mass209.07
IUPAC Name(2,6-difluoro-3-pyrrol-1-ylphenyl)methanol
SMILESOCc1c(F)ccc(-n2cccc2)c1F
InChIInChI=1S/C11H9F2NO/c12-9-3-4-10(11(13)8(9)7-15)14-5-1-2-6-14/h1-6,15H,7H2
InChIKeyLBKYHUDULBAUMI-UHFFFAOYSA-N
XLogP2.25
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-pyrrol-1-ylphenyl)methanol?
The IUPAC name of (2,6-difluoro-3-pyrrol-1-ylphenyl)methanol (CID 15581757) is (2,6-difluoro-3-pyrrol-1-ylphenyl)methanol.
What is the SMILES notation for (2,6-difluoro-3-pyrrol-1-ylphenyl)methanol?
The canonical SMILES for (2,6-difluoro-3-pyrrol-1-ylphenyl)methanol is OCc1c(F)ccc(-n2cccc2)c1F.
What is the InChIKey of (2,6-difluoro-3-pyrrol-1-ylphenyl)methanol?
The InChIKey is LBKYHUDULBAUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO/c12-9-3-4-10(11(13)8(9)7-15)14-5-1-2-6-14/h1-6,15H,7H2.
What are the key properties of (2,6-difluoro-3-pyrrol-1-ylphenyl)methanol?
(2,6-difluoro-3-pyrrol-1-ylphenyl)methanol has a molecular weight of 209.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-pyrrol-1-ylphenyl)methanol is sourced from PubChem (CID 15581757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).