(5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol

C12H14BrFO — CID 107005403

IUPAC(5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol
SMILESCC1(C)CC1C(O)c1cc(Br)ccc1F
InChIInChI=1S/C12H14BrFO/c1-12(2)6-9(12)11(15)8-5-7(13)3-4-10(8)14/h3-5,9,11,15H,6H2,1-2H3
InChIKeyKURMHDLOQRABRN-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.67
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol

(5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol (PubChem CID 107005403) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol
PubChem CID107005403
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name(5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol
SMILESCC1(C)CC1C(O)c1cc(Br)ccc1F
InChIInChI=1S/C12H14BrFO/c1-12(2)6-9(12)11(15)8-5-7(13)3-4-10(8)14/h3-5,9,11,15H,6H2,1-2H3
InChIKeyKURMHDLOQRABRN-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol (CID 107005403) is (5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol is CC1(C)CC1C(O)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol?
The InChIKey is KURMHDLOQRABRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c1-12(2)6-9(12)11(15)8-5-7(13)3-4-10(8)14/h3-5,9,11,15H,6H2,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol?
(5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol has a molecular weight of 273.14 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol is sourced from PubChem (CID 107005403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).