1,3-difluoro-2-(fluoromethoxy)benzene

C7H5F3O — CID 140973526

IUPAC1,3-difluoro-2-(fluoromethoxy)benzene
SMILESFCOc1c(F)cccc1F
InChIInChI=1S/C7H5F3O/c8-4-11-7-5(9)2-1-3-6(7)10/h1-3H,4H2
InChIKeyLTNFGDTYTYHDJT-UHFFFAOYSA-N
MW162.11 g/mol
LogP2.27
Rot. Bonds2

About 1,3-difluoro-2-(fluoromethoxy)benzene

1,3-difluoro-2-(fluoromethoxy)benzene (PubChem CID 140973526) has the molecular formula C7H5F3O and a molecular weight of 162.11 g/mol. Its IUPAC name is 1,3-difluoro-2-(fluoromethoxy)benzene.

Molecular Properties

Compound Name1,3-difluoro-2-(fluoromethoxy)benzene
PubChem CID140973526
Molecular FormulaC7H5F3O
Molecular Weight162.11 g/mol
Exact Mass162.03
IUPAC Name1,3-difluoro-2-(fluoromethoxy)benzene
SMILESFCOc1c(F)cccc1F
InChIInChI=1S/C7H5F3O/c8-4-11-7-5(9)2-1-3-6(7)10/h1-3H,4H2
InChIKeyLTNFGDTYTYHDJT-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.11
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(6-chlorohexoxy)-1,3-difluorobenzene
CID 81268506
1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene
CID 130776713
5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene
CID 130969013
1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene
CID 81269320
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290
4-(2,6-difluorophenoxy)butan-2-ol
CID 81269023
1-(2,6-difluorophenoxy)naphthalene
CID 90910204
N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 81269641
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CID 81268709
N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(fluoromethoxy)benzene?
The IUPAC name of 1,3-difluoro-2-(fluoromethoxy)benzene (CID 140973526) is 1,3-difluoro-2-(fluoromethoxy)benzene.
What is the SMILES notation for 1,3-difluoro-2-(fluoromethoxy)benzene?
The canonical SMILES for 1,3-difluoro-2-(fluoromethoxy)benzene is FCOc1c(F)cccc1F.
What is the InChIKey of 1,3-difluoro-2-(fluoromethoxy)benzene?
The InChIKey is LTNFGDTYTYHDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O/c8-4-11-7-5(9)2-1-3-6(7)10/h1-3H,4H2.
What are the key properties of 1,3-difluoro-2-(fluoromethoxy)benzene?
1,3-difluoro-2-(fluoromethoxy)benzene has a molecular weight of 162.11 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(fluoromethoxy)benzene is sourced from PubChem (CID 140973526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).