1-[2-(trifluoromethoxy)phenyl]ethanol

C9H9F3O2 — CID 44891073

IUPAC1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-6,13H,1H3
InChIKeyLWOXLMRGAQEYMM-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.64
Rot. Bonds2

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

1-[2-(trifluoromethoxy)phenyl]ethanol (PubChem CID 44891073) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)phenyl]ethanol
PubChem CID44891073
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-6,13H,1H3
InChIKeyLWOXLMRGAQEYMM-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mephenesin
CID 4059
4-Methoxybenzyl alcohol
CID 7738
2-Methylanisole
CID 33637
Xanthydrol
CID 72861
4-Methoxyphenethyl alcohol
CID 69705
3-(4-Methoxyphenyl)-1-propanol
CID 79406
1'-Hydroxyestragole
CID 40003
2-(Ethoxymethyl)phenol
CID 3486665
2-Vinylanisole
CID 61153
2-Methoxybenzyl alcohol
CID 69154
1-(4-Methoxyphenyl)-1-propanol
CID 92218
2,5-Dimethoxybenzyl alcohol
CID 118495

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-[2-(trifluoromethoxy)phenyl]ethanol (CID 44891073) is 1-[2-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-(trifluoromethoxy)phenyl]ethanol is CC(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is LWOXLMRGAQEYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-6,13H,1H3.
What are the key properties of 1-[2-(trifluoromethoxy)phenyl]ethanol?
1-[2-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 206.16 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 44891073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).