methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene

C15H12Cl3F5O2 — CID 157172540

IUPACmethane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene
SMILESC.COc1c(Cl)cc(Cl)cc1Cl.COc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H5Cl3O.C7H3F5O.CH4/c1-11-7-5(9)2-4(8)3-6(7)10;1-13-7-5(11)3(9)2(8)4(10)6(7)12;/h2-3H,1H3;1H3;1H4
InChIKeyANQHHKWBXJMKTP-UHFFFAOYSA-N
MW425.61 g/mol
LogP6.68
Rot. Bonds2

About methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene

methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene (PubChem CID 157172540) has the molecular formula C15H12Cl3F5O2 and a molecular weight of 425.61 g/mol. Its IUPAC name is methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene.

Molecular Properties

Compound Namemethane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene
PubChem CID157172540
Molecular FormulaC15H12Cl3F5O2
Molecular Weight425.61 g/mol
Exact Mass423.98
IUPAC Namemethane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene
SMILESC.COc1c(Cl)cc(Cl)cc1Cl.COc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H5Cl3O.C7H3F5O.CH4/c1-11-7-5(9)2-4(8)3-6(7)10;1-13-7-5(11)3(9)2(8)4(10)6(7)12;/h2-3H,1H3;1H3;1H4
InChIKeyANQHHKWBXJMKTP-UHFFFAOYSA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.61
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3,5-dichloro-2-methoxyaniline
CID 11217747
1,2-dichloro-3,4,6-trifluoro-5-methoxybenzene
CID 71389282
(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine
CID 84675684
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene
CID 116932155
1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene
CID 130926131
1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene
CID 125116033
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
1,5-dichloro-3-(2-chloroethyl)-2-methoxybenzene
CID 82477195
N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194513

Frequently Asked Questions

What is the IUPAC name of methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene?
The IUPAC name of methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene (CID 157172540) is methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene.
What is the SMILES notation for methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene?
The canonical SMILES for methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene is C.COc1c(Cl)cc(Cl)cc1Cl.COc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene?
The InChIKey is ANQHHKWBXJMKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O.C7H3F5O.CH4/c1-11-7-5(9)2-4(8)3-6(7)10;1-13-7-5(11)3(9)2(8)4(10)6(7)12;/h2-3H,1H3;1H3;1H4.
What are the key properties of methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene?
methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene has a molecular weight of 425.61 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene is sourced from PubChem (CID 157172540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).