1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

C12H13F5O3 — CID 103473939

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESCOc1ccc(C(O)COCC(F)(F)C(F)F)c(F)c1
InChIInChI=1S/C12H13F5O3/c1-19-7-2-3-8(9(13)4-7)10(18)5-20-6-12(16,17)11(14)15/h2-4,10-11,18H,5-6H2,1H3
InChIKeyXJHCQCAQQTVRLD-UHFFFAOYSA-N
MW300.22 g/mol
LogP2.78
Rot. Bonds7

About 1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (PubChem CID 103473939) has the molecular formula C12H13F5O3 and a molecular weight of 300.22 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
PubChem CID103473939
Molecular FormulaC12H13F5O3
Molecular Weight300.22 g/mol
Exact Mass300.08
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESCOc1ccc(C(O)COCC(F)(F)C(F)F)c(F)c1
InChIInChI=1S/C12H13F5O3/c1-19-7-2-3-8(9(13)4-7)10(18)5-20-6-12(16,17)11(14)15/h2-4,10-11,18H,5-6H2,1H3
InChIKeyXJHCQCAQQTVRLD-UHFFFAOYSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473924
1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 81304349
1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
CID 81304350
1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473969
1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474160
2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol
CID 82007414
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
CID 43561615
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786
1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 106881222
4-(2-fluoro-4-methoxyphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297395
2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol
CID 61081494

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (CID 103473939) is 1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is COc1ccc(C(O)COCC(F)(F)C(F)F)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The InChIKey is XJHCQCAQQTVRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5O3/c1-19-7-2-3-8(9(13)4-7)10(18)5-20-6-12(16,17)11(14)15/h2-4,10-11,18H,5-6H2,1H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol has a molecular weight of 300.22 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is sourced from PubChem (CID 103473939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).