2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene

C13H13F5O — CID 18344234

IUPAC2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene
SMILESFc1cc(C2CCC(F)CC2)cc(F)c1OC(F)F
InChIInChI=1S/C13H13F5O/c14-9-3-1-7(2-4-9)8-5-10(15)12(11(16)6-8)19-13(17)18/h5-7,9,13H,1-4H2
InChIKeyRYAYZXPOXPBNDD-UHFFFAOYSA-N
MW280.24 g/mol
LogP4.56
Rot. Bonds3

About 2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene

2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene (PubChem CID 18344234) has the molecular formula C13H13F5O and a molecular weight of 280.24 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene
PubChem CID18344234
Molecular FormulaC13H13F5O
Molecular Weight280.24 g/mol
Exact Mass280.09
IUPAC Name2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene
SMILESFc1cc(C2CCC(F)CC2)cc(F)c1OC(F)F
InChIInChI=1S/C13H13F5O/c14-9-3-1-7(2-4-9)8-5-10(15)12(11(16)6-8)19-13(17)18/h5-7,9,13H,1-4H2
InChIKeyRYAYZXPOXPBNDD-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene?
The IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene (CID 18344234) is 2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene.
What is the SMILES notation for 2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene?
The canonical SMILES for 2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene is Fc1cc(C2CCC(F)CC2)cc(F)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene?
The InChIKey is RYAYZXPOXPBNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5O/c14-9-3-1-7(2-4-9)8-5-10(15)12(11(16)6-8)19-13(17)18/h5-7,9,13H,1-4H2.
What are the key properties of 2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene?
2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene has a molecular weight of 280.24 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene is sourced from PubChem (CID 18344234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).