2,3-dichloro-4-(trifluoromethoxy)phenol

C7H3Cl2F3O2 — CID 119023608

IUPAC2,3-dichloro-4-(trifluoromethoxy)phenol
SMILESOc1ccc(OC(F)(F)F)c(Cl)c1Cl
InChIInChI=1S/C7H3Cl2F3O2/c8-5-3(13)1-2-4(6(5)9)14-7(10,11)12/h1-2,13H
InChIKeyPNXSVNXVMKKLAG-UHFFFAOYSA-N
MW247.00 g/mol
LogP3.60
Rot. Bonds1

About 2,3-dichloro-4-(trifluoromethoxy)phenol

2,3-dichloro-4-(trifluoromethoxy)phenol (PubChem CID 119023608) has the molecular formula C7H3Cl2F3O2 and a molecular weight of 247.00 g/mol. Its IUPAC name is 2,3-dichloro-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2,3-dichloro-4-(trifluoromethoxy)phenol
PubChem CID119023608
Molecular FormulaC7H3Cl2F3O2
Molecular Weight247.00 g/mol
Exact Mass245.95
IUPAC Name2,3-dichloro-4-(trifluoromethoxy)phenol
SMILESOc1ccc(OC(F)(F)F)c(Cl)c1Cl
InChIInChI=1S/C7H3Cl2F3O2/c8-5-3(13)1-2-4(6(5)9)14-7(10,11)12/h1-2,13H
InChIKeyPNXSVNXVMKKLAG-UHFFFAOYSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.00
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(trifluoromethoxy)phenol
CID 58046341
1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone
CID 171006044
5-amino-2-chloro-3-(trifluoromethoxy)phenol
CID 118850628
CID 142516848
CID 142516848
4-iodo-2-(trifluoromethoxy)phenol
CID 151053566
3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171007850
4-chloro-5-(trifluoromethoxy)-1-benzothiophene
CID 91236608
2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid
CID 14496899
2-chloro-3-methyl-6-(trifluoromethoxy)aniline
CID 118997180
3-chloro-2-(trifluoromethoxy)phenol
CID 67274818
7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole
CID 165175793
1-[2-chloro-3-methyl-4-(trifluoromethoxy)phenyl]ethanone
CID 171001667

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(trifluoromethoxy)phenol?
The IUPAC name of 2,3-dichloro-4-(trifluoromethoxy)phenol (CID 119023608) is 2,3-dichloro-4-(trifluoromethoxy)phenol.
What is the SMILES notation for 2,3-dichloro-4-(trifluoromethoxy)phenol?
The canonical SMILES for 2,3-dichloro-4-(trifluoromethoxy)phenol is Oc1ccc(OC(F)(F)F)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(trifluoromethoxy)phenol?
The InChIKey is PNXSVNXVMKKLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F3O2/c8-5-3(13)1-2-4(6(5)9)14-7(10,11)12/h1-2,13H.
What are the key properties of 2,3-dichloro-4-(trifluoromethoxy)phenol?
2,3-dichloro-4-(trifluoromethoxy)phenol has a molecular weight of 247.00 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 119023608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).