2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene

C15H9Cl4F5O2 — CID 159116352

IUPAC2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene
SMILESFc1cc(Cl)c(OCCC(F)(F)F)c(Cl)c1.Oc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C9H6Cl2F4O.C6H3Cl2FO/c10-6-3-5(12)4-7(11)8(6)16-2-1-9(13,14)15;7-4-1-3(9)2-5(8)6(4)10/h3-4H,1-2H2;1-2,10H
InChIKeyKFDFIHGLNMNXJE-UHFFFAOYSA-N
MW458.04 g/mol
LogP7.30
Rot. Bonds3

About 2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene

2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene (PubChem CID 159116352) has the molecular formula C15H9Cl4F5O2 and a molecular weight of 458.04 g/mol. Its IUPAC name is 2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene.

Molecular Properties

Compound Name2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene
PubChem CID159116352
Molecular FormulaC15H9Cl4F5O2
Molecular Weight458.04 g/mol
Exact Mass455.93
IUPAC Name2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene
SMILESFc1cc(Cl)c(OCCC(F)(F)F)c(Cl)c1.Oc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C9H6Cl2F4O.C6H3Cl2FO/c10-6-3-5(12)4-7(11)8(6)16-2-1-9(13,14)15;7-4-1-3(9)2-5(8)6(4)10/h3-4H,1-2H2;1-2,10H
InChIKeyKFDFIHGLNMNXJE-UHFFFAOYSA-N
XLogP7.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.04
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid
CID 64552928
N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine
CID 64552689
1-(bromomethyl)-3,5-dichloro-2-(4,4,4-trifluorobutoxy)benzene
CID 115514411
3,5-dimethyl-4-(3,3,3-trifluoropropoxy)benzoic acid
CID 64552924
2-amino-6-chloro-4-fluorophenol
CID 11275173
3,5-dichloro-4-[3-(2,4,6-trichlorophenoxy)propoxy]phenol
CID 54396483
2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 112614997
4-butoxy-3,5-dichlorophenol
CID 91234331
3-bromo-5-fluoro-2-(4,4,4-trifluorobutoxy)aniline
CID 113326202
1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 107741699
3-chloro-5-fluoro-2-(trifluoromethoxy)aniline
CID 130792876
2-butoxy-3-chloro-5-fluorobenzaldehyde
CID 90384298

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene?
The IUPAC name of 2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene (CID 159116352) is 2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene.
What is the SMILES notation for 2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene?
The canonical SMILES for 2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene is Fc1cc(Cl)c(OCCC(F)(F)F)c(Cl)c1.Oc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene?
The InChIKey is KFDFIHGLNMNXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F4O.C6H3Cl2FO/c10-6-3-5(12)4-7(11)8(6)16-2-1-9(13,14)15;7-4-1-3(9)2-5(8)6(4)10/h3-4H,1-2H2;1-2,10H.
What are the key properties of 2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene?
2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene has a molecular weight of 458.04 g/mol, XLogP of 7.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluorophenol;1,3-dichloro-5-fluoro-2-(3,3,3-trifluoropropoxy)benzene is sourced from PubChem (CID 159116352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).