(3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol

C11H12BrFO2 — CID 106644380

IUPAC(3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol
SMILESOC(c1cccc(Br)c1F)C1CCOC1
InChIInChI=1S/C11H12BrFO2/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-6-7/h1-3,7,11,14H,4-6H2
InChIKeyFUWYHGCXABCQSG-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.66
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol

(3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol (PubChem CID 106644380) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol
PubChem CID106644380
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name(3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol
SMILESOC(c1cccc(Br)c1F)C1CCOC1
InChIInChI=1S/C11H12BrFO2/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-6-7/h1-3,7,11,14H,4-6H2
InChIKeyFUWYHGCXABCQSG-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol (CID 106644380) is (3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol is OC(c1cccc(Br)c1F)C1CCOC1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol?
The InChIKey is FUWYHGCXABCQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-6-7/h1-3,7,11,14H,4-6H2.
What are the key properties of (3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol?
(3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol has a molecular weight of 275.12 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 106644380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).