2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol

C11H14F2O2 — CID 80604410

IUPAC2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
SMILESCCOc1ccc(C(C)(O)C(F)F)cc1
InChIInChI=1S/C11H14F2O2/c1-3-15-9-6-4-8(5-7-9)11(2,14)10(12)13/h4-7,10,14H,3H2,1-2H3
InChIKeyPOTYAKJKFSGSTG-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.56
Rot. Bonds4

About 2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol

2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol (PubChem CID 80604410) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
PubChem CID80604410
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
SMILESCCOc1ccc(C(C)(O)C(F)F)cc1
InChIInChI=1S/C11H14F2O2/c1-3-15-9-6-4-8(5-7-9)11(2,14)10(12)13/h4-7,10,14H,3H2,1-2H3
InChIKeyPOTYAKJKFSGSTG-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
1,1-difluoro-2-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol
CID 167796019
2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol
CID 129179765
3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
CID 55139482
2-(4-tert-butylphenyl)-1,1-difluoropropan-2-ol
CID 80605126
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
CID 62395381
1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 64769720
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol?
The IUPAC name of 2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol (CID 80604410) is 2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol is CCOc1ccc(C(C)(O)C(F)F)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol?
The InChIKey is POTYAKJKFSGSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-3-15-9-6-4-8(5-7-9)11(2,14)10(12)13/h4-7,10,14H,3H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol?
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol has a molecular weight of 216.23 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 80604410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).