[3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol

C11H10BrF3O — CID 171814857

IUPAC[3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol
SMILESCC1(CO)C(c2ccc(Br)cc2F)C1(F)F
InChIInChI=1S/C11H10BrF3O/c1-10(5-16)9(11(10,14)15)7-3-2-6(12)4-8(7)13/h2-4,9,16H,5H2,1H3
InChIKeyITKNUCXJYFQWBJ-UHFFFAOYSA-N
MW295.10 g/mol
LogP3.32
Rot. Bonds2

About [3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol

[3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol (PubChem CID 171814857) has the molecular formula C11H10BrF3O and a molecular weight of 295.10 g/mol. Its IUPAC name is [3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol
PubChem CID171814857
Molecular FormulaC11H10BrF3O
Molecular Weight295.10 g/mol
Exact Mass293.99
IUPAC Name[3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol
SMILESCC1(CO)C(c2ccc(Br)cc2F)C1(F)F
InChIInChI=1S/C11H10BrF3O/c1-10(5-16)9(11(10,14)15)7-3-2-6(12)4-8(7)13/h2-4,9,16H,5H2,1H3
InChIKeyITKNUCXJYFQWBJ-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol?
The IUPAC name of [3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol (CID 171814857) is [3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol.
What is the SMILES notation for [3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol?
The canonical SMILES for [3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol is CC1(CO)C(c2ccc(Br)cc2F)C1(F)F.
What is the InChIKey of [3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol?
The InChIKey is ITKNUCXJYFQWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3O/c1-10(5-16)9(11(10,14)15)7-3-2-6(12)4-8(7)13/h2-4,9,16H,5H2,1H3.
What are the key properties of [3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol?
[3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol has a molecular weight of 295.10 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-2-fluorophenyl)-2,2-difluoro-1-methylcyclopropyl]methanol is sourced from PubChem (CID 171814857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).