1-chloro-3-iodo-5-(trifluoromethoxy)benzene

C7H3ClF3IO — CID 148567184

IUPAC1-chloro-3-iodo-5-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Cl)cc(I)c1
InChIInChI=1S/C7H3ClF3IO/c8-4-1-5(12)3-6(2-4)13-7(9,10)11/h1-3H
InChIKeyMWDSLLGFCGGTGP-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.84
Rot. Bonds1

About 1-chloro-3-iodo-5-(trifluoromethoxy)benzene

1-chloro-3-iodo-5-(trifluoromethoxy)benzene (PubChem CID 148567184) has the molecular formula C7H3ClF3IO and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-chloro-3-iodo-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-chloro-3-iodo-5-(trifluoromethoxy)benzene
PubChem CID148567184
Molecular FormulaC7H3ClF3IO
Molecular Weight322.45 g/mol
Exact Mass321.89
IUPAC Name1-chloro-3-iodo-5-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Cl)cc(I)c1
InChIInChI=1S/C7H3ClF3IO/c8-4-1-5(12)3-6(2-4)13-7(9,10)11/h1-3H
InChIKeyMWDSLLGFCGGTGP-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-3-iodo-5-(trifluoromethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene
CID 170998806
CID 164791139
CID 164791139
1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane
CID 143344817
1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine
CID 175748238
1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene
CID 171006403
1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891292
(E)-3-[3-iodo-5-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 170998292
2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893687
1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene
CID 171006255
3-chloro-5-(trifluoromethoxy)benzene-1,2-diamine
CID 118807866
3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4-dimethyl-1,2,4-triazol-4-ium
CID 123237456
1-[3-chloro-5-(trifluoromethoxy)phenyl]-3-(2,6-dichloro-4-pyridinyl)urea
CID 175721929

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-iodo-5-(trifluoromethoxy)benzene?
The IUPAC name of 1-chloro-3-iodo-5-(trifluoromethoxy)benzene (CID 148567184) is 1-chloro-3-iodo-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-chloro-3-iodo-5-(trifluoromethoxy)benzene?
The canonical SMILES for 1-chloro-3-iodo-5-(trifluoromethoxy)benzene is FC(F)(F)Oc1cc(Cl)cc(I)c1.
What is the InChIKey of 1-chloro-3-iodo-5-(trifluoromethoxy)benzene?
The InChIKey is MWDSLLGFCGGTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3IO/c8-4-1-5(12)3-6(2-4)13-7(9,10)11/h1-3H.
What are the key properties of 1-chloro-3-iodo-5-(trifluoromethoxy)benzene?
1-chloro-3-iodo-5-(trifluoromethoxy)benzene has a molecular weight of 322.45 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-iodo-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 148567184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).