1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene

C14H11F3O2 — CID 78846488

IUPAC1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene
SMILESFc1ccc(OCc2ccccc2OC(F)F)cc1
InChIInChI=1S/C14H11F3O2/c15-11-5-7-12(8-6-11)18-9-10-3-1-2-4-13(10)19-14(16)17/h1-8,14H,9H2
InChIKeyMXMRSDTZUKCJTC-UHFFFAOYSA-N
MW268.23 g/mol
LogP4.01
Rot. Bonds5

About 1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene

1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene (PubChem CID 78846488) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene
PubChem CID78846488
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene
SMILESFc1ccc(OCc2ccccc2OC(F)F)cc1
InChIInChI=1S/C14H11F3O2/c15-11-5-7-12(8-6-11)18-9-10-3-1-2-4-13(10)19-14(16)17/h1-8,14H,9H2
InChIKeyMXMRSDTZUKCJTC-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[[2-(difluoromethoxy)phenyl]methoxy]phenyl]-3-(trifluoromethyl)pyrrole
CID 141296264
2-[2-[[2-(difluoromethoxy)phenyl]methoxy]phenoxy]ethanol
CID 78878305
6-[[2-(difluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile
CID 139724969
(2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine
CID 97057954
1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene
CID 112828246
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-5-fluoroaniline
CID 43304039
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
4-[[2-(difluoromethoxy)phenyl]methyl]piperidine
CID 117355180
trifluoro-[4-[(2-methoxyphenyl)methoxy]phenyl]boranuide
CID 63677704
4-[2-(difluoromethoxy)phenyl]butan-1-amine
CID 117306539
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene (CID 78846488) is 1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene is Fc1ccc(OCc2ccccc2OC(F)F)cc1.
What is the InChIKey of 1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene?
The InChIKey is MXMRSDTZUKCJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c15-11-5-7-12(8-6-11)18-9-10-3-1-2-4-13(10)19-14(16)17/h1-8,14H,9H2.
What are the key properties of 1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene?
1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene has a molecular weight of 268.23 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene is sourced from PubChem (CID 78846488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).