1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol

C16H15F3O — CID 114931152

IUPAC1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
SMILESCCC(O)(Cc1c(F)cccc1F)c1ccccc1F
InChIInChI=1S/C16H15F3O/c1-2-16(20,12-6-3-4-7-15(12)19)10-11-13(17)8-5-9-14(11)18/h3-9,20H,2,10H2,1H3
InChIKeyYYNIEJMLDCEFOL-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.94
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol

1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol (PubChem CID 114931152) has the molecular formula C16H15F3O and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
PubChem CID114931152
Molecular FormulaC16H15F3O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
SMILESCCC(O)(Cc1c(F)cccc1F)c1ccccc1F
InChIInChI=1S/C16H15F3O/c1-2-16(20,12-6-3-4-7-15(12)19)10-11-13(17)8-5-9-14(11)18/h3-9,20H,2,10H2,1H3
InChIKeyYYNIEJMLDCEFOL-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996284
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 114930965
1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 107307633
1-(2,6-difluorophenyl)-2-methylbutan-2-ol
CID 114930976
5-ethyl-3-(2-fluorophenyl)heptan-3-ol
CID 112679496
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol
CID 114209768
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol
CID 112679362
1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol
CID 104802643
1-(2,6-difluorophenyl)-2-phenylpropan-2-ol
CID 114930959
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996259

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol (CID 114931152) is 1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol is CCC(O)(Cc1c(F)cccc1F)c1ccccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol?
The InChIKey is YYNIEJMLDCEFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O/c1-2-16(20,12-6-3-4-7-15(12)19)10-11-13(17)8-5-9-14(11)18/h3-9,20H,2,10H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol?
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol has a molecular weight of 280.29 g/mol, XLogP of 3.94, 4 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-(2-fluorophenyl)butan-2-ol is sourced from PubChem (CID 114931152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).