1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene

C7H2ClF4IO — CID 171002131

IUPAC1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
SMILESFc1cc(Cl)c(OC(F)(F)F)cc1I
InChIInChI=1S/C7H2ClF4IO/c8-3-1-4(9)5(13)2-6(3)14-7(10,11)12/h1-2H
InChIKeyYDGXELCQBHOXFE-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.98
Rot. Bonds1

About 1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene

1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene (PubChem CID 171002131) has the molecular formula C7H2ClF4IO and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
PubChem CID171002131
Molecular FormulaC7H2ClF4IO
Molecular Weight340.44 g/mol
Exact Mass339.88
IUPAC Name1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
SMILESFc1cc(Cl)c(OC(F)(F)F)cc1I
InChIInChI=1S/C7H2ClF4IO/c8-3-1-4(9)5(13)2-6(3)14-7(10,11)12/h1-2H
InChIKeyYDGXELCQBHOXFE-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene
CID 118841669
1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171033218
1-chloro-4-fluoro-2-iodo-5-(trifluoromethoxy)benzene
CID 171002272
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607
1-[5-chloro-2-iodo-4-(trifluoromethoxy)phenyl]ethanone
CID 171009086
1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
CID 53217040
5-chloro-4-iodo-2-(trifluoromethoxy)aniline
CID 130895645
1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171009079
3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one
CID 142597368
4-chloro-3-iodo-5-(trifluoromethoxy)aniline
CID 118811208
1,5-dibromo-2-chloro-4-(trifluoromethoxy)benzene
CID 171006157
bromozinc(1+);2-chloro-4-methanidyl-1-(trifluoromethoxy)benzene
CID 146001700

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene (CID 171002131) is 1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene is Fc1cc(Cl)c(OC(F)(F)F)cc1I.
What is the InChIKey of 1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene?
The InChIKey is YDGXELCQBHOXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF4IO/c8-3-1-4(9)5(13)2-6(3)14-7(10,11)12/h1-2H.
What are the key properties of 1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene?
1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene has a molecular weight of 340.44 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 171002131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).