1-(difluoromethoxy)-4-(fluoromethoxy)benzene

C8H7F3O2 — CID 137408791

IUPAC1-(difluoromethoxy)-4-(fluoromethoxy)benzene
SMILESFCOc1ccc(OC(F)F)cc1
InChIInChI=1S/C8H7F3O2/c9-5-12-6-1-3-7(4-2-6)13-8(10)11/h1-4,8H,5H2
InChIKeyRGPQYHWPTHFMDQ-UHFFFAOYSA-N
MW192.14 g/mol
LogP2.59
Rot. Bonds4

About 1-(difluoromethoxy)-4-(fluoromethoxy)benzene

1-(difluoromethoxy)-4-(fluoromethoxy)benzene (PubChem CID 137408791) has the molecular formula C8H7F3O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-(fluoromethoxy)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-(fluoromethoxy)benzene
PubChem CID137408791
Molecular FormulaC8H7F3O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name1-(difluoromethoxy)-4-(fluoromethoxy)benzene
SMILESFCOc1ccc(OC(F)F)cc1
InChIInChI=1S/C8H7F3O2/c9-5-12-6-1-3-7(4-2-6)13-8(10)11/h1-4,8H,5H2
InChIKeyRGPQYHWPTHFMDQ-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
4-(difluoromethoxy)aniline
CID 737363
1-(fluoromethoxy)-4-propan-2-ylbenzene
CID 90078626
1-(difluoromethoxy)-4-ethylsulfonylbenzene
CID 71207645
1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene
CID 118807710
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
[4-(fluoromethoxy)phenyl]methanol
CID 54255227
1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
CID 7931593
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-(fluoromethoxy)benzene?
The IUPAC name of 1-(difluoromethoxy)-4-(fluoromethoxy)benzene (CID 137408791) is 1-(difluoromethoxy)-4-(fluoromethoxy)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-(fluoromethoxy)benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-(fluoromethoxy)benzene is FCOc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-(fluoromethoxy)benzene?
The InChIKey is RGPQYHWPTHFMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2/c9-5-12-6-1-3-7(4-2-6)13-8(10)11/h1-4,8H,5H2.
What are the key properties of 1-(difluoromethoxy)-4-(fluoromethoxy)benzene?
1-(difluoromethoxy)-4-(fluoromethoxy)benzene has a molecular weight of 192.14 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-(fluoromethoxy)benzene is sourced from PubChem (CID 137408791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).