2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol

C10H9F5O — CID 83950267

IUPAC2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol
SMILESCCC(O)(c1cccc(F)c1F)C(F)(F)F
InChIInChI=1S/C10H9F5O/c1-2-9(16,10(13,14)15)6-4-3-5-7(11)8(6)12/h3-5,16H,2H2,1H3
InChIKeyLVQWYJGMIVJUAV-UHFFFAOYSA-N
MW240.17 g/mol
LogP3.12
Rot. Bonds2

About 2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol

2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol (PubChem CID 83950267) has the molecular formula C10H9F5O and a molecular weight of 240.17 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol
PubChem CID83950267
Molecular FormulaC10H9F5O
Molecular Weight240.17 g/mol
Exact Mass240.06
IUPAC Name2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol
SMILESCCC(O)(c1cccc(F)c1F)C(F)(F)F
InChIInChI=1S/C10H9F5O/c1-2-9(16,10(13,14)15)6-4-3-5-7(11)8(6)12/h3-5,16H,2H2,1H3
InChIKeyLVQWYJGMIVJUAV-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-Hydroxy-3-phenyl-1-butyne
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1-Phenylcyclohexanol
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p-Bis(2-hydroxyisopropyl)benzene
CID 18062
alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol
CID 69933
alpha,alpha-Dimethyl[1,1'-biphenyl]-4-methanol
CID 118654
2-Phenylbutan-2-ol
CID 15283

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol (CID 83950267) is 2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol is CCC(O)(c1cccc(F)c1F)C(F)(F)F.
What is the InChIKey of 2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol?
The InChIKey is LVQWYJGMIVJUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5O/c1-2-9(16,10(13,14)15)6-4-3-5-7(11)8(6)12/h3-5,16H,2H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol?
2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol has a molecular weight of 240.17 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 83950267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).