1-(3-chloro-2,4,5-trifluorophenyl)ethanol

C8H6ClF3O — CID 117113843

IUPAC1-(3-chloro-2,4,5-trifluorophenyl)ethanol
SMILESCC(O)c1cc(F)c(F)c(Cl)c1F
InChIInChI=1S/C8H6ClF3O/c1-3(13)4-2-5(10)8(12)6(9)7(4)11/h2-3,13H,1H3
InChIKeyNSNSETSSQQWHFX-UHFFFAOYSA-N
MW210.58 g/mol
LogP2.81
Rot. Bonds1

About 1-(3-chloro-2,4,5-trifluorophenyl)ethanol

1-(3-chloro-2,4,5-trifluorophenyl)ethanol (PubChem CID 117113843) has the molecular formula C8H6ClF3O and a molecular weight of 210.58 g/mol. Its IUPAC name is 1-(3-chloro-2,4,5-trifluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2,4,5-trifluorophenyl)ethanol
PubChem CID117113843
Molecular FormulaC8H6ClF3O
Molecular Weight210.58 g/mol
Exact Mass210.01
IUPAC Name1-(3-chloro-2,4,5-trifluorophenyl)ethanol
SMILESCC(O)c1cc(F)c(F)c(Cl)c1F
InChIInChI=1S/C8H6ClF3O/c1-3(13)4-2-5(10)8(12)6(9)7(4)11/h2-3,13H,1H3
InChIKeyNSNSETSSQQWHFX-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.58
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol
CID 117113620
2-amino-2-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117115476
2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol
CID 117293030
6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol
CID 117298062
1-(5-chloro-2,4-difluorophenyl)ethanol
CID 117283331
(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol
CID 58572415
1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol
CID 117344397
2-chloro-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84662920
1-(2-chloro-4-fluoro-3-methylphenyl)ethanol
CID 130090893
1-(2-fluoro-3,5-dimethylphenyl)ethanol
CID 83988897
1-(4-chloro-2,3-difluorophenyl)ethanol
CID 164892643
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4,5-trifluorophenyl)ethanol?
The IUPAC name of 1-(3-chloro-2,4,5-trifluorophenyl)ethanol (CID 117113843) is 1-(3-chloro-2,4,5-trifluorophenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-2,4,5-trifluorophenyl)ethanol?
The canonical SMILES for 1-(3-chloro-2,4,5-trifluorophenyl)ethanol is CC(O)c1cc(F)c(F)c(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2,4,5-trifluorophenyl)ethanol?
The InChIKey is NSNSETSSQQWHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O/c1-3(13)4-2-5(10)8(12)6(9)7(4)11/h2-3,13H,1H3.
What are the key properties of 1-(3-chloro-2,4,5-trifluorophenyl)ethanol?
1-(3-chloro-2,4,5-trifluorophenyl)ethanol has a molecular weight of 210.58 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4,5-trifluorophenyl)ethanol is sourced from PubChem (CID 117113843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).