1-(2,6-difluorophenyl)-2-methylbutan-2-ol

C11H14F2O — CID 114930976

IUPAC1-(2,6-difluorophenyl)-2-methylbutan-2-ol
SMILESCCC(C)(O)Cc1c(F)cccc1F
InChIInChI=1S/C11H14F2O/c1-3-11(2,14)7-8-9(12)5-4-6-10(8)13/h4-6,14H,3,7H2,1-2H3
InChIKeyNETCVTHDHSLJBR-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.67
Rot. Bonds3

About 1-(2,6-difluorophenyl)-2-methylbutan-2-ol

1-(2,6-difluorophenyl)-2-methylbutan-2-ol (PubChem CID 114930976) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-methylbutan-2-ol
PubChem CID114930976
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-(2,6-difluorophenyl)-2-methylbutan-2-ol
SMILESCCC(C)(O)Cc1c(F)cccc1F
InChIInChI=1S/C11H14F2O/c1-3-11(2,14)7-8-9(12)5-4-6-10(8)13/h4-6,14H,3,7H2,1-2H3
InChIKeyNETCVTHDHSLJBR-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 114930994
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 114931152
1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
CID 114930978
1-(2,6-difluorophenyl)-2-phenylpropan-2-ol
CID 114930959
3-[(2,6-difluorophenyl)methyl]pentan-3-amine
CID 114931229
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 114930965
2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene
CID 58149351
4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114931192
1-(2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 114496070
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-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832731

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-methylbutan-2-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-methylbutan-2-ol (CID 114930976) is 1-(2,6-difluorophenyl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-methylbutan-2-ol is CCC(C)(O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-methylbutan-2-ol?
The InChIKey is NETCVTHDHSLJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-3-11(2,14)7-8-9(12)5-4-6-10(8)13/h4-6,14H,3,7H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-methylbutan-2-ol?
1-(2,6-difluorophenyl)-2-methylbutan-2-ol has a molecular weight of 200.23 g/mol, XLogP of 2.67, 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-methylbutan-2-ol is sourced from PubChem (CID 114930976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).