4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene

C13H7F4IO — CID 118799410

IUPAC4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene
SMILESFc1ccc(-c2cccc(OC(F)(F)F)c2)c(I)c1
InChIInChI=1S/C13H7F4IO/c14-9-4-5-11(12(18)7-9)8-2-1-3-10(6-8)19-13(15,16)17/h1-7H
InChIKeyZIIHTOXWGNKOJT-UHFFFAOYSA-N
MW382.09 g/mol
LogP5.00
Rot. Bonds2

About 4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene

4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene (PubChem CID 118799410) has the molecular formula C13H7F4IO and a molecular weight of 382.09 g/mol. Its IUPAC name is 4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene
PubChem CID118799410
Molecular FormulaC13H7F4IO
Molecular Weight382.09 g/mol
Exact Mass381.95
IUPAC Name4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene
SMILESFc1ccc(-c2cccc(OC(F)(F)F)c2)c(I)c1
InChIInChI=1S/C13H7F4IO/c14-9-4-5-11(12(18)7-9)8-2-1-3-10(6-8)19-13(15,16)17/h1-7H
InChIKeyZIIHTOXWGNKOJT-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.09
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 134628195
2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118842889
4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde
CID 103694064
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
2-fluoro-5-iodo-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089048
4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 90750927
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene (CID 118799410) is 4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene is Fc1ccc(-c2cccc(OC(F)(F)F)c2)c(I)c1.
What is the InChIKey of 4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene?
The InChIKey is ZIIHTOXWGNKOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4IO/c14-9-4-5-11(12(18)7-9)8-2-1-3-10(6-8)19-13(15,16)17/h1-7H.
What are the key properties of 4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene?
4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene has a molecular weight of 382.09 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 118799410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).