4-chloro-2-(trifluoromethoxy)phenol

C7H4ClF3O2 — CID 58046341

IUPAC4-chloro-2-(trifluoromethoxy)phenol
SMILESOc1ccc(Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H4ClF3O2/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3,12H
InChIKeyQKIZTLYHDABESN-UHFFFAOYSA-N
MW212.55 g/mol
LogP2.94
Rot. Bonds1

About 4-chloro-2-(trifluoromethoxy)phenol

4-chloro-2-(trifluoromethoxy)phenol (PubChem CID 58046341) has the molecular formula C7H4ClF3O2 and a molecular weight of 212.55 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethoxy)phenol
PubChem CID58046341
Molecular FormulaC7H4ClF3O2
Molecular Weight212.55 g/mol
Exact Mass211.99
IUPAC Name4-chloro-2-(trifluoromethoxy)phenol
SMILESOc1ccc(Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H4ClF3O2/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3,12H
InChIKeyQKIZTLYHDABESN-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.55
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-2-(trifluoromethoxy)phenol
CID 151053566
4-(2-aminoethyl)-2-(trifluoromethoxy)phenol
CID 170868556
2,3-dichloro-4-(trifluoromethoxy)phenol
CID 119023608
4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane
CID 143548597
1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol
CID 168640841
4-(3-methylbutyl)-2-(trifluoromethoxy)phenol
CID 123306584
1,5-bis[5-chloro-2-(trifluoromethoxy)phenyl]pentan-3-one
CID 175245898
4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 162659279
N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 2741510
5-amino-2-chloro-3-(trifluoromethoxy)phenol
CID 118850628
2-fluoro-6-(trifluoromethoxy)phenol
CID 68960936
2-bromo-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619292

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethoxy)phenol?
The IUPAC name of 4-chloro-2-(trifluoromethoxy)phenol (CID 58046341) is 4-chloro-2-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-chloro-2-(trifluoromethoxy)phenol?
The canonical SMILES for 4-chloro-2-(trifluoromethoxy)phenol is Oc1ccc(Cl)cc1OC(F)(F)F.
What is the InChIKey of 4-chloro-2-(trifluoromethoxy)phenol?
The InChIKey is QKIZTLYHDABESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O2/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3,12H.
What are the key properties of 4-chloro-2-(trifluoromethoxy)phenol?
4-chloro-2-(trifluoromethoxy)phenol has a molecular weight of 212.55 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethoxy)phenol is sourced from PubChem (CID 58046341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).