2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol

C9H7Cl2FO — CID 19987002

IUPAC2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol
SMILESC=C(F)Cc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C9H7Cl2FO/c1-5(12)2-6-3-7(10)9(13)8(11)4-6/h3-4,13H,1-2H2
InChIKeyGGHHURUJFHTAEN-UHFFFAOYSA-N
MW221.06 g/mol
LogP3.72
Rot. Bonds2

About 2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol

2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol (PubChem CID 19987002) has the molecular formula C9H7Cl2FO and a molecular weight of 221.06 g/mol. Its IUPAC name is 2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol
PubChem CID19987002
Molecular FormulaC9H7Cl2FO
Molecular Weight221.06 g/mol
Exact Mass219.99
IUPAC Name2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol
SMILESC=C(F)Cc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C9H7Cl2FO/c1-5(12)2-6-3-7(10)9(13)8(11)4-6/h3-4,13H,1-2H2
InChIKeyGGHHURUJFHTAEN-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrachlorobisphenol A
CID 6619
2-Chloro-4-Phenylphenol
CID 7074
3,3',5,5'-Tetrachloro-4,4'-biphenyldiol
CID 97032
2,6-Dichloro-4-methylphenol
CID 17077
Benzenemethanol, 3,5-dichloro-4-hydroxy-
CID 176409
2-Chloro-4,5-dimethylphenol
CID 70754
2-Hydroxy-3,5-dichlorobiphenyl
CID 21419
2-Chloro-4-methylphenol
CID 14851
2-Chloro-6-methylphenol
CID 6898
Chloroxynil
CID 74685
2-Chloro-4-nonylphenol
CID 43176
4-tert-Butyl-2-chlorophenol
CID 7380

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol?
The IUPAC name of 2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol (CID 19987002) is 2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol.
What is the SMILES notation for 2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol?
The canonical SMILES for 2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol is C=C(F)Cc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol?
The InChIKey is GGHHURUJFHTAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FO/c1-5(12)2-6-3-7(10)9(13)8(11)4-6/h3-4,13H,1-2H2.
What are the key properties of 2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol?
2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol has a molecular weight of 221.06 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(2-fluoroprop-2-enyl)phenol is sourced from PubChem (CID 19987002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).