2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol

C12H15F3O — CID 84695519

IUPAC2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(C(C)(C)F)cc(F)c1F
InChIInChI=1S/C12H15F3O/c1-11(2,15)7-5-8(12(3,4)16)10(14)9(13)6-7/h5-6,16H,1-4H3
InChIKeyCNSUXBVTTXWKSR-UHFFFAOYSA-N
MW232.24 g/mol
LogP3.40
Rot. Bonds2

About 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol

2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol (PubChem CID 84695519) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol
PubChem CID84695519
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(C(C)(C)F)cc(F)c1F
InChIInChI=1S/C12H15F3O/c1-11(2,15)7-5-8(12(3,4)16)10(14)9(13)6-7/h5-6,16H,1-4H3
InChIKeyCNSUXBVTTXWKSR-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol (CID 84695519) is 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol is CC(C)(O)c1cc(C(C)(C)F)cc(F)c1F.
What is the InChIKey of 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol?
The InChIKey is CNSUXBVTTXWKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-11(2,15)7-5-8(12(3,4)16)10(14)9(13)6-7/h5-6,16H,1-4H3.
What are the key properties of 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol?
2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol has a molecular weight of 232.24 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 84695519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).