2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol

C12H16F2O — CID 115401141

IUPAC2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(C)(O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2O/c1-11(2,3)12(4,15)9-7-8(13)5-6-10(9)14/h5-7,15H,1-4H3
InChIKeyJFUSLBZUWGHNQS-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.22
Rot. Bonds1

About 2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol

2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol (PubChem CID 115401141) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol
PubChem CID115401141
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(C)(O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2O/c1-11(2,3)12(4,15)9-7-8(13)5-6-10(9)14/h5-7,15H,1-4H3
InChIKeyJFUSLBZUWGHNQS-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
CID 90465421
1-amino-2-(2,5-difluorophenyl)propan-2-ol
CID 62773185
2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401188
2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
CID 105425213
4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152
bis(2,5-difluorophenyl)methanedisulfonic acid
CID 90187825
1-(2,5-difluorophenyl)-1-(3-methylphenyl)ethanol
CID 62801933
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 62802085
4-fluoro-3-(2-hydroxypropan-2-yl)phenol
CID 84653712
1-(5-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)ethanol
CID 82770802
3-(2,5-difluorophenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62396639
2-(2,5-difluorophenyl)-2-methylbutanoyl chloride
CID 117047827

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol (CID 115401141) is 2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(C)(O)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol?
The InChIKey is JFUSLBZUWGHNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-11(2,3)12(4,15)9-7-8(13)5-6-10(9)14/h5-7,15H,1-4H3.
What are the key properties of 2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol?
2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol has a molecular weight of 214.25 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 115401141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).