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

C8H2ClF6I — CID 44891192

IUPAC2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(I)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H2ClF6I/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H
InChIKeyJBLZIEGFOXWVAC-UHFFFAOYSA-N
MW374.45 g/mol
LogP4.98
Rot. Bonds

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

2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene (PubChem CID 44891192) has the molecular formula C8H2ClF6I and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene
PubChem CID44891192
Molecular FormulaC8H2ClF6I
Molecular Weight374.45 g/mol
Exact Mass373.88
IUPAC Name2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(I)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H2ClF6I/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H
InChIKeyJBLZIEGFOXWVAC-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene (CID 44891192) is 2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene is FC(F)(F)c1cc(I)c(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene?
The InChIKey is JBLZIEGFOXWVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF6I/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H.
What are the key properties of 2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene?
2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene has a molecular weight of 374.45 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 44891192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).