2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol

C10H11BrF2O — CID 86685073

IUPAC2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol
SMILESCc1ccc(Br)c(C(O)(CF)CF)c1
InChIInChI=1S/C10H11BrF2O/c1-7-2-3-9(11)8(4-7)10(14,5-12)6-13/h2-4,14H,5-6H2,1H3
InChIKeyAXBWOBOSNQQYGF-UHFFFAOYSA-N
MW265.10 g/mol
LogP2.88
Rot. Bonds3

About 2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol

2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol (PubChem CID 86685073) has the molecular formula C10H11BrF2O and a molecular weight of 265.10 g/mol. Its IUPAC name is 2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol
PubChem CID86685073
Molecular FormulaC10H11BrF2O
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol
SMILESCc1ccc(Br)c(C(O)(CF)CF)c1
InChIInChI=1S/C10H11BrF2O/c1-7-2-3-9(11)8(4-7)10(14,5-12)6-13/h2-4,14H,5-6H2,1H3
InChIKeyAXBWOBOSNQQYGF-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol?
The IUPAC name of 2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol (CID 86685073) is 2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol.
What is the SMILES notation for 2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol?
The canonical SMILES for 2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol is Cc1ccc(Br)c(C(O)(CF)CF)c1.
What is the InChIKey of 2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol?
The InChIKey is AXBWOBOSNQQYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2O/c1-7-2-3-9(11)8(4-7)10(14,5-12)6-13/h2-4,14H,5-6H2,1H3.
What are the key properties of 2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol?
2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol has a molecular weight of 265.10 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol is sourced from PubChem (CID 86685073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).