5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene

C9H3F8IO — CID 134638592

IUPAC5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene
SMILESFC(F)Oc1cc(I)c(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C9H3F8IO/c10-7(11)19-3-1-4(8(12,13)14)6(5(18)2-3)9(15,16)17/h1-2,7H
InChIKeyGSMWTVPRVMVDTF-UHFFFAOYSA-N
MW406.01 g/mol
LogP4.93
Rot. Bonds2

About 5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene

5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene (PubChem CID 134638592) has the molecular formula C9H3F8IO and a molecular weight of 406.01 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene
PubChem CID134638592
Molecular FormulaC9H3F8IO
Molecular Weight406.01 g/mol
Exact Mass405.91
IUPAC Name5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene
SMILESFC(F)Oc1cc(I)c(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C9H3F8IO/c10-7(11)19-3-1-4(8(12,13)14)6(5(18)2-3)9(15,16)17/h1-2,7H
InChIKeyGSMWTVPRVMVDTF-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.01
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene?
The IUPAC name of 5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene (CID 134638592) is 5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene is FC(F)Oc1cc(I)c(C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene?
The InChIKey is GSMWTVPRVMVDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F8IO/c10-7(11)19-3-1-4(8(12,13)14)6(5(18)2-3)9(15,16)17/h1-2,7H.
What are the key properties of 5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene?
5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene has a molecular weight of 406.01 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 134638592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).