1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol

C14H20F2O2 — CID 82006561

IUPAC1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol
SMILESCC(C)(C)c1ccc(C(O)COCC(F)F)cc1
InChIInChI=1S/C14H20F2O2/c1-14(2,3)11-6-4-10(5-7-11)12(17)8-18-9-13(15)16/h4-7,12-13,17H,8-9H2,1-3H3
InChIKeyVNHMWQXGIZBFOZ-UHFFFAOYSA-N
MW258.31 g/mol
LogP3.30
Rot. Bonds5

About 1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol

1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol (PubChem CID 82006561) has the molecular formula C14H20F2O2 and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol
PubChem CID82006561
Molecular FormulaC14H20F2O2
Molecular Weight258.31 g/mol
Exact Mass258.14
IUPAC Name1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol
SMILESCC(C)(C)c1ccc(C(O)COCC(F)F)cc1
InChIInChI=1S/C14H20F2O2/c1-14(2,3)11-6-4-10(5-7-11)12(17)8-18-9-13(15)16/h4-7,12-13,17H,8-9H2,1-3H3
InChIKeyVNHMWQXGIZBFOZ-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol
CID 82007292
1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol
CID 106666611
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934
1-(4-tert-butylphenyl)-4-(2,2-difluoroethoxy)butan-2-one
CID 103147080
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
1-tert-butyl-4-[2-(4-tert-butylphenyl)-1,2-difluoroethyl]benzene
CID 58671895
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
1-(4-tert-butylphenyl)-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
CID 162348324

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol (CID 82006561) is 1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol is CC(C)(C)c1ccc(C(O)COCC(F)F)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol?
The InChIKey is VNHMWQXGIZBFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O2/c1-14(2,3)11-6-4-10(5-7-11)12(17)8-18-9-13(15)16/h4-7,12-13,17H,8-9H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol?
1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol has a molecular weight of 258.31 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol is sourced from PubChem (CID 82006561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).