1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one

C10H5Cl2F5O2 — CID 114038014

IUPAC1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one
SMILESCOc1cc(Cl)c(C(=O)C(F)(F)C(F)(F)F)cc1Cl
InChIInChI=1S/C10H5Cl2F5O2/c1-19-7-3-5(11)4(2-6(7)12)8(18)9(13,14)10(15,16)17/h2-3H,1H3
InChIKeyACXQJMNNBYHXOV-UHFFFAOYSA-N
MW323.04 g/mol
LogP4.38
Rot. Bonds3

About 1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one

1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one (PubChem CID 114038014) has the molecular formula C10H5Cl2F5O2 and a molecular weight of 323.04 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one
PubChem CID114038014
Molecular FormulaC10H5Cl2F5O2
Molecular Weight323.04 g/mol
Exact Mass321.96
IUPAC Name1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one
SMILESCOc1cc(Cl)c(C(=O)C(F)(F)C(F)(F)F)cc1Cl
InChIInChI=1S/C10H5Cl2F5O2/c1-19-7-3-5(11)4(2-6(7)12)8(18)9(13,14)10(15,16)17/h2-3H,1H3
InChIKeyACXQJMNNBYHXOV-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.04
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,3-pentafluoro-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 114038350
3-(2,5-dichloro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116917973
5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
(5-chloro-2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 162345424
azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone
CID 116916762
(3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107123750
1-[2-chloro-4-(2,5-dichloro-4-methoxyphenyl)phenyl]ethanone
CID 82778971
2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone
CID 82050544
methyl 4-(2,5-dichloro-4-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808771
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107998395
(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 104785092

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one?
The IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one (CID 114038014) is 1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one.
What is the SMILES notation for 1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one?
The canonical SMILES for 1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one is COc1cc(Cl)c(C(=O)C(F)(F)C(F)(F)F)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one?
The InChIKey is ACXQJMNNBYHXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F5O2/c1-19-7-3-5(11)4(2-6(7)12)8(18)9(13,14)10(15,16)17/h2-3H,1H3.
What are the key properties of 1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one?
1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one has a molecular weight of 323.04 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one is sourced from PubChem (CID 114038014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).