(2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C15H20BrFO2 — CID 114885572

IUPAC(2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2c(F)cccc2Br)C(C)(C)O1
InChIInChI=1S/C15H20BrFO2/c1-14(2)8-9(15(3,4)19-14)13(18)12-10(16)6-5-7-11(12)17/h5-7,9,13,18H,8H2,1-4H3
InChIKeyCKAHMIFTJUWCPK-UHFFFAOYSA-N
MW331.23 g/mol
LogP4.22
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

(2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 114885572) has the molecular formula C15H20BrFO2 and a molecular weight of 331.23 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID114885572
Molecular FormulaC15H20BrFO2
Molecular Weight331.23 g/mol
Exact Mass330.06
IUPAC Name(2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2c(F)cccc2Br)C(C)(C)O1
InChIInChI=1S/C15H20BrFO2/c1-14(2)8-9(15(3,4)19-14)13(18)12-10(16)6-5-7-11(12)17/h5-7,9,13,18H,8H2,1-4H3
InChIKeyCKAHMIFTJUWCPK-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 115838834
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107953815
(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622030
(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622019
(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622719
(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622000
(2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 107969945
N-[(2-bromo-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105053129
(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622122
(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol
CID 114885757
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of (2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 114885572) is (2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CC1(C)CC(C(O)c2c(F)cccc2Br)C(C)(C)O1.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is CKAHMIFTJUWCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO2/c1-14(2)8-9(15(3,4)19-14)13(18)12-10(16)6-5-7-11(12)17/h5-7,9,13,18H,8H2,1-4H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
(2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 331.23 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 114885572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).