1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol

C9H8ClF3O2 — CID 135155037

IUPAC1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C9H8ClF3O2/c1-5(14)7-4-6(10)2-3-8(7)15-9(11,12)13/h2-5,14H,1H3
InChIKeyWFJMEQZZVVLAOJ-UHFFFAOYSA-N
MW240.61 g/mol
LogP3.29
Rot. Bonds2

About 1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol

1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol (PubChem CID 135155037) has the molecular formula C9H8ClF3O2 and a molecular weight of 240.61 g/mol. Its IUPAC name is 1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol
PubChem CID135155037
Molecular FormulaC9H8ClF3O2
Molecular Weight240.61 g/mol
Exact Mass240.02
IUPAC Name1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C9H8ClF3O2/c1-5(14)7-4-6(10)2-3-8(7)15-9(11,12)13/h2-5,14H,1H3
InChIKeyWFJMEQZZVVLAOJ-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-2-methylanisole
CID 76748
Ethanol, 2-(4-chloro-2-ethylphenoxy)-
CID 3041042
(2-(Difluoromethoxy)phenyl)methanol
CID 2736992
4 Chloro-2-methoxybenzyl alcohol
CID 3549393
(3R,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45267246
(3S,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45270670
3-(4-Chloro-2-methylphenoxy)propane-1,2-diol
CID 20332706
1-(4-Chloro-2-methylphenoxy)propan-2-ol
CID 65278075
2,2,2-Trifluoro-1-(2-methoxyphenyl)ethanol
CID 2829248
Benzenemethanol, 5-chloro-3-ethyl-2-methoxy-
CID 42034
3-(4-Chloro-2-propylphenoxy)propane-1,2-diol
CID 113939
1,2-Propanediol, 3-(2-allyl-4-chlorophenoxy)-
CID 3048389

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol (CID 135155037) is 1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol is CC(O)c1cc(Cl)ccc1OC(F)(F)F.
What is the InChIKey of 1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is WFJMEQZZVVLAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O2/c1-5(14)7-4-6(10)2-3-8(7)15-9(11,12)13/h2-5,14H,1H3.
What are the key properties of 1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol?
1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 240.61 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 135155037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).