2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol

C13H18F2O2 — CID 82007292

IUPAC2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)COCC(F)F)cc1
InChIInChI=1S/C13H18F2O2/c1-2-3-10-4-6-11(7-5-10)12(16)8-17-9-13(14)15/h4-7,12-13,16H,2-3,8-9H2,1H3
InChIKeyFRELOARXDHRVGZ-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.95
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol

2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol (PubChem CID 82007292) has the molecular formula C13H18F2O2 and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol
PubChem CID82007292
Molecular FormulaC13H18F2O2
Molecular Weight244.28 g/mol
Exact Mass244.13
IUPAC Name2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)COCC(F)F)cc1
InChIInChI=1S/C13H18F2O2/c1-2-3-10-4-6-11(7-5-10)12(16)8-17-9-13(14)15/h4-7,12-13,16H,2-3,8-9H2,1H3
InChIKeyFRELOARXDHRVGZ-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 82004546
1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol
CID 82006561
2-phenoxy-1-(4-propylphenyl)ethanol
CID 54943234
2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol
CID 63037145
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol
CID 62800447
3-methyl-1-(4-propylphenyl)pentan-1-ol
CID 114875906
4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol
CID 114211492
3-(methylamino)-1-(4-propylphenyl)propan-1-ol
CID 112509803
(4-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 63890920
3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol
CID 116502564
5-hydroxy-5-(4-propylphenyl)pentanoic acid
CID 43117855

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol (CID 82007292) is 2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol is CCCc1ccc(C(O)COCC(F)F)cc1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol?
The InChIKey is FRELOARXDHRVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O2/c1-2-3-10-4-6-11(7-5-10)12(16)8-17-9-13(14)15/h4-7,12-13,16H,2-3,8-9H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol?
2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol has a molecular weight of 244.28 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 82007292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).