[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol

C9H8ClF3O2 — CID 86725584

IUPAC[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESOCc1ccc(Cl)cc1OCC(F)(F)F
InChIInChI=1S/C9H8ClF3O2/c10-7-2-1-6(4-14)8(3-7)15-5-9(11,12)13/h1-3,14H,4-5H2
InChIKeySKWJHKNKNKWHBZ-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.77
Rot. Bonds3

About [4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol

[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol (PubChem CID 86725584) has the molecular formula C9H8ClF3O2 and a molecular weight of 240.61 g/mol. Its IUPAC name is [4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol
PubChem CID86725584
Molecular FormulaC9H8ClF3O2
Molecular Weight240.61 g/mol
Exact Mass240.02
IUPAC Name[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESOCc1ccc(Cl)cc1OCC(F)(F)F
InChIInChI=1S/C9H8ClF3O2/c10-7-2-1-6(4-14)8(3-7)15-5-9(11,12)13/h1-3,14H,4-5H2
InChIKeySKWJHKNKNKWHBZ-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61379733
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarbothioamide
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2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene
CID 135154916
[4-chloro-2-(4-chlorophenoxy)phenyl]methanol
CID 86078233
4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene
CID 18741298
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 63093707
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium
CID 154675748
2-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119324701
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43268000
5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 154968259
[6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol
CID 106705438

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
The IUPAC name of [4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol (CID 86725584) is [4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol.
What is the SMILES notation for [4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
The canonical SMILES for [4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol is OCc1ccc(Cl)cc1OCC(F)(F)F.
What is the InChIKey of [4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
The InChIKey is SKWJHKNKNKWHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O2/c10-7-2-1-6(4-14)8(3-7)15-5-9(11,12)13/h1-3,14H,4-5H2.
What are the key properties of [4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol has a molecular weight of 240.61 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol is sourced from PubChem (CID 86725584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).