3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene

C13H6ClF5O — CID 112813104

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
SMILESFc1cc(F)c(F)c(OCc2c(F)cccc2Cl)c1F
InChIInChI=1S/C13H6ClF5O/c14-7-2-1-3-8(15)6(7)5-20-13-11(18)9(16)4-10(17)12(13)19/h1-4H,5H2
InChIKeyIPOPJEJXMJYVBA-UHFFFAOYSA-N
MW308.63 g/mol
LogP4.61
Rot. Bonds3

About 3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene

3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene (PubChem CID 112813104) has the molecular formula C13H6ClF5O and a molecular weight of 308.63 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
PubChem CID112813104
Molecular FormulaC13H6ClF5O
Molecular Weight308.63 g/mol
Exact Mass308.00
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
SMILESFc1cc(F)c(F)c(OCc2c(F)cccc2Cl)c1F
InChIInChI=1S/C13H6ClF5O/c14-7-2-1-3-8(15)6(7)5-20-13-11(18)9(16)4-10(17)12(13)19/h1-4H,5H2
InChIKeyIPOPJEJXMJYVBA-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.63
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-fluorobenzene
CID 107691104
3-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoroaniline
CID 61496215
2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline
CID 55200768
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613291
3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxybenzonitrile
CID 22682990
4-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzenecarbothioamide
CID 65472294
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534231
5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene
CID 114930615
1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79881837

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene (CID 112813104) is 3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene is Fc1cc(F)c(F)c(OCc2c(F)cccc2Cl)c1F.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene?
The InChIKey is IPOPJEJXMJYVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF5O/c14-7-2-1-3-8(15)6(7)5-20-13-11(18)9(16)4-10(17)12(13)19/h1-4H,5H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene?
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene has a molecular weight of 308.63 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene is sourced from PubChem (CID 112813104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).