1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol

C12H16F2O — CID 114930978

IUPAC1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)Cc1c(F)cccc1F
InChIInChI=1S/C12H16F2O/c1-8(2)12(3,15)7-9-10(13)5-4-6-11(9)14/h4-6,8,15H,7H2,1-3H3
InChIKeyCGXZCFPAKRNIJE-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.91
Rot. Bonds3

About 1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol

1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol (PubChem CID 114930978) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
PubChem CID114930978
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)Cc1c(F)cccc1F
InChIInChI=1S/C12H16F2O/c1-8(2)12(3,15)7-9-10(13)5-4-6-11(9)14/h4-6,8,15H,7H2,1-3H3
InChIKeyCGXZCFPAKRNIJE-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-2-phenylpropan-2-ol
CID 114930959
4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114931192
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 114930965
1-(2,6-difluorophenyl)-2-methylbutan-2-ol
CID 114930976
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol
CID 114931097
3-(aminomethyl)-4-(2,6-difluorophenyl)-3-methylbutan-2-ol
CID 114934759
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol
CID 114930972
1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol
CID 114930963
1-(2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 114930994
1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol
CID 114492664

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol (CID 114930978) is 1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol?
The InChIKey is CGXZCFPAKRNIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-8(2)12(3,15)7-9-10(13)5-4-6-11(9)14/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol?
1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol has a molecular weight of 214.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114930978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).