3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol

C9H8ClF3O — CID 102618230

IUPAC3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
SMILESOC(Cc1cc(F)ccc1Cl)C(F)F
InChIInChI=1S/C9H8ClF3O/c10-7-2-1-6(11)3-5(7)4-8(14)9(12)13/h1-3,8-9,14H,4H2
InChIKeyLYEHWVGVUOKYEU-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.65
Rot. Bonds3

About 3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol

3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol (PubChem CID 102618230) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
PubChem CID102618230
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
SMILESOC(Cc1cc(F)ccc1Cl)C(F)F
InChIInChI=1S/C9H8ClF3O/c10-7-2-1-6(11)3-5(7)4-8(14)9(12)13/h1-3,8-9,14H,4H2
InChIKeyLYEHWVGVUOKYEU-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol (CID 102618230) is 3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol is OC(Cc1cc(F)ccc1Cl)C(F)F.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol?
The InChIKey is LYEHWVGVUOKYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c10-7-2-1-6(11)3-5(7)4-8(14)9(12)13/h1-3,8-9,14H,4H2.
What are the key properties of 3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol?
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol has a molecular weight of 224.61 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 102618230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).