2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol

C11H13BrF2O — CID 117447354

IUPAC2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cc(Br)ccc1C(F)F
InChIInChI=1S/C11H13BrF2O/c1-11(2,6-15)9-5-7(12)3-4-8(9)10(13)14/h3-5,10,15H,6H2,1-2H3
InChIKeySKPRLBXMLBISEG-UHFFFAOYSA-N
MW279.12 g/mol
LogP3.66
Rot. Bonds3

About 2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol

2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol (PubChem CID 117447354) has the molecular formula C11H13BrF2O and a molecular weight of 279.12 g/mol. Its IUPAC name is 2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol
PubChem CID117447354
Molecular FormulaC11H13BrF2O
Molecular Weight279.12 g/mol
Exact Mass278.01
IUPAC Name2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cc(Br)ccc1C(F)F
InChIInChI=1S/C11H13BrF2O/c1-11(2,6-15)9-5-7(12)3-4-8(9)10(13)14/h3-5,10,15H,6H2,1-2H3
InChIKeySKPRLBXMLBISEG-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-bromo-2-(difluoromethyl)phenyl]ethanol
CID 84707354
2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117445061
2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117443682
3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
CID 66666062
2-[4-bromo-2-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 86649634
2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332377
2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332372
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol
CID 116841188
4-bromo-2-(1-chloro-2-methylpropan-2-yl)phenol
CID 22731307
1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine
CID 83161775
4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene
CID 79739124

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol (CID 117447354) is 2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol is CC(C)(CO)c1cc(Br)ccc1C(F)F.
What is the InChIKey of 2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is SKPRLBXMLBISEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2O/c1-11(2,6-15)9-5-7(12)3-4-8(9)10(13)14/h3-5,10,15H,6H2,1-2H3.
What are the key properties of 2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol?
2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 279.12 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117447354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).