1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol

C11H14BrFO — CID 115796476

IUPAC1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cccc(F)c1Br
InChIInChI=1S/C11H14BrFO/c1-11(2,3)10(14)7-5-4-6-8(13)9(7)12/h4-6,10,14H,1-3H3
InChIKeyHMCMLNOIVUXCIN-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.67
Rot. Bonds1

About 1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol

1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol (PubChem CID 115796476) has the molecular formula C11H14BrFO and a molecular weight of 261.13 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol
PubChem CID115796476
Molecular FormulaC11H14BrFO
Molecular Weight261.13 g/mol
Exact Mass260.02
IUPAC Name1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cccc(F)c1Br
InChIInChI=1S/C11H14BrFO/c1-11(2,3)10(14)7-5-4-6-8(13)9(7)12/h4-6,10,14H,1-3H3
InChIKeyHMCMLNOIVUXCIN-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
CID 171267992
1-(2-bromo-3-fluorophenyl)butan-1-ol
CID 58572720
1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 114978285
(3S)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241172
(3R)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247890
1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol
CID 115828339
1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol
CID 115810729
1-(2-bromo-3-fluorophenyl)hex-4-yn-1-ol
CID 115833631
2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115796515
2-(2-bromo-3-fluorophenyl)-2-fluoroacetic acid
CID 170917834
1-(2-bromo-3-fluorophenyl)-2-propoxyethanol
CID 115818859
(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol
CID 115781566

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol (CID 115796476) is 1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is HMCMLNOIVUXCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO/c1-11(2,3)10(14)7-5-4-6-8(13)9(7)12/h4-6,10,14H,1-3H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol?
1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 261.13 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115796476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).