1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate

C16H14ClF3O4 — CID 144861284

IUPAC1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate
SMILESCOC=O.COc1cccc(F)c1COc1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H10ClF3O2.C2H4O2/c1-19-13-4-2-3-10(16)8(13)7-20-14-6-12(18)11(17)5-9(14)15;1-4-2-3/h2-6H,7H2,1H3;2H,1H3
InChIKeyGAQWBFCYAFVDDU-UHFFFAOYSA-N
MW362.73 g/mol
LogP4.13
Rot. Bonds5

About 1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate

1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate (PubChem CID 144861284) has the molecular formula C16H14ClF3O4 and a molecular weight of 362.73 g/mol. Its IUPAC name is 1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate.

Molecular Properties

Compound Name1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate
PubChem CID144861284
Molecular FormulaC16H14ClF3O4
Molecular Weight362.73 g/mol
Exact Mass362.05
IUPAC Name1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate
SMILESCOC=O.COc1cccc(F)c1COc1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H10ClF3O2.C2H4O2/c1-19-13-4-2-3-10(16)8(13)7-20-14-6-12(18)11(17)5-9(14)15;1-4-2-3/h2-6H,7H2,1H3;2H,1H3
InChIKeyGAQWBFCYAFVDDU-UHFFFAOYSA-N
XLogP4.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.73
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline
CID 59309657
1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate
CID 144933730
[2-[(2-chloro-5-fluoro-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate
CID 122645484
1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene
CID 144860819
4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde
CID 11289413
4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol
CID 144861297
2-bromo-1-[(2-cyclopropyl-6-methoxyphenyl)methoxy]-4-fluorobenzene;methyl formate
CID 144860547
[2-[(2,5-dichloro-4-methylphenoxy)methyl]-3-fluorophenyl] propanoate
CID 122645988
3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyaniline
CID 61496182
1-chloro-2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-fluorobenzene
CID 61496156
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422
3-[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoic acid
CID 20984780

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate?
The IUPAC name of 1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate (CID 144861284) is 1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate.
What is the SMILES notation for 1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate?
The canonical SMILES for 1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate is COC=O.COc1cccc(F)c1COc1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate?
The InChIKey is GAQWBFCYAFVDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2.C2H4O2/c1-19-13-4-2-3-10(16)8(13)7-20-14-6-12(18)11(17)5-9(14)15;1-4-2-3/h2-6H,7H2,1H3;2H,1H3.
What are the key properties of 1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate?
1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate has a molecular weight of 362.73 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate is sourced from PubChem (CID 144861284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).