1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene

C13H6ClF5O — CID 134629660

IUPAC1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
SMILESCOc1ccc(Cl)cc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H6ClF5O/c1-20-7-3-2-5(14)4-6(7)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,1H3
InChIKeyMBSAMPVILYIRMJ-UHFFFAOYSA-N
MW308.63 g/mol
LogP4.71
Rot. Bonds2

About 1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene

1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene (PubChem CID 134629660) has the molecular formula C13H6ClF5O and a molecular weight of 308.63 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
PubChem CID134629660
Molecular FormulaC13H6ClF5O
Molecular Weight308.63 g/mol
Exact Mass308.00
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
SMILESCOc1ccc(Cl)cc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H6ClF5O/c1-20-7-3-2-5(14)4-6(7)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,1H3
InChIKeyMBSAMPVILYIRMJ-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.63
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876
ethane;1,2,3,4,5-pentafluoro-6-(2-methoxy-5-methylphenyl)benzene
CID 144565369
5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran
CID 135171555
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
4-(5-chloro-2-methoxyphenyl)-N-methylaniline
CID 116962443
3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene
CID 174993778
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296595
4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134629678
4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride
CID 177414477

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene (CID 134629660) is 1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene is COc1ccc(Cl)cc1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is MBSAMPVILYIRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF5O/c1-20-7-3-2-5(14)4-6(7)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene?
1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 308.63 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 134629660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).