[2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol

C12H14BrF2NO — CID 70228721

IUPAC[2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol
SMILESOCc1cc(N2CCC(F)(F)CC2)ccc1Br
InChIInChI=1S/C12H14BrF2NO/c13-11-2-1-10(7-9(11)8-17)16-5-3-12(14,15)4-6-16/h1-2,7,17H,3-6,8H2
InChIKeyNQUONDXXJCAOTA-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.18
Rot. Bonds2

About [2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol

[2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol (PubChem CID 70228721) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is [2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol
PubChem CID70228721
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name[2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol
SMILESOCc1cc(N2CCC(F)(F)CC2)ccc1Br
InChIInChI=1S/C12H14BrF2NO/c13-11-2-1-10(7-9(11)8-17)16-5-3-12(14,15)4-6-16/h1-2,7,17H,3-6,8H2
InChIKeyNQUONDXXJCAOTA-UHFFFAOYSA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol?
The IUPAC name of [2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol (CID 70228721) is [2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol is OCc1cc(N2CCC(F)(F)CC2)ccc1Br.
What is the InChIKey of [2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol?
The InChIKey is NQUONDXXJCAOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c13-11-2-1-10(7-9(11)8-17)16-5-3-12(14,15)4-6-16/h1-2,7,17H,3-6,8H2.
What are the key properties of [2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol?
[2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol has a molecular weight of 306.15 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-(4,4-difluoropiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 70228721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).