2-fluoro-5-(trichloromethyl)phenol

C7H4Cl3FO — CID 121291559

IUPAC2-fluoro-5-(trichloromethyl)phenol
SMILESOc1cc(C(Cl)(Cl)Cl)ccc1F
InChIInChI=1S/C7H4Cl3FO/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3,12H
InChIKeyFDDXVJSTSBJODI-UHFFFAOYSA-N
MW229.47 g/mol
LogP3.36
Rot. Bonds

About 2-fluoro-5-(trichloromethyl)phenol

2-fluoro-5-(trichloromethyl)phenol (PubChem CID 121291559) has the molecular formula C7H4Cl3FO and a molecular weight of 229.47 g/mol. Its IUPAC name is 2-fluoro-5-(trichloromethyl)phenol.

Molecular Properties

Compound Name2-fluoro-5-(trichloromethyl)phenol
PubChem CID121291559
Molecular FormulaC7H4Cl3FO
Molecular Weight229.47 g/mol
Exact Mass227.93
IUPAC Name2-fluoro-5-(trichloromethyl)phenol
SMILESOc1cc(C(Cl)(Cl)Cl)ccc1F
InChIInChI=1S/C7H4Cl3FO/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3,12H
InChIKeyFDDXVJSTSBJODI-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(trichloromethyl)benzenethiol;2-sulfanyl-5-(trichloromethyl)phenol
CID 175295518
1,4-bis(trichloromethyl)benzene
CID 88520389
4-(trichloromethyl)phenol
CID 21200855
4-tert-butyl-2-fluorophenol
CID 11062790
dichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid
CID 174555933
1,2-dichloro-4-(trichloromethyl)benzene
CID 25608
5-aminooxy-2-fluorophenol
CID 142901822
1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene
CID 21412930
5-(aminomethyl)-2-fluorophenol;hydrobromide
CID 68744209
2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol
CID 53219739
3-(4-chloro-3-fluorophenyl)pentan-3-ol
CID 91656809
5-[(E)-6-(5-tert-butyl-2-fluorophenoxy)-2-methylhex-4-en-2-yl]-2-fluorophenol
CID 139460565

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(trichloromethyl)phenol?
The IUPAC name of 2-fluoro-5-(trichloromethyl)phenol (CID 121291559) is 2-fluoro-5-(trichloromethyl)phenol.
What is the SMILES notation for 2-fluoro-5-(trichloromethyl)phenol?
The canonical SMILES for 2-fluoro-5-(trichloromethyl)phenol is Oc1cc(C(Cl)(Cl)Cl)ccc1F.
What is the InChIKey of 2-fluoro-5-(trichloromethyl)phenol?
The InChIKey is FDDXVJSTSBJODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl3FO/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3,12H.
What are the key properties of 2-fluoro-5-(trichloromethyl)phenol?
2-fluoro-5-(trichloromethyl)phenol has a molecular weight of 229.47 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(trichloromethyl)phenol is sourced from PubChem (CID 121291559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).