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

C8H4F5IO — CID 170998806

IUPAC1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene
SMILESFC(F)c1cc(I)cc(OC(F)(F)F)c1
InChIInChI=1S/C8H4F5IO/c9-7(10)4-1-5(14)3-6(2-4)15-8(11,12)13/h1-3,7H
InChIKeyMCQHNOJAOYMZEM-UHFFFAOYSA-N
MW338.01 g/mol
LogP4.13
Rot. Bonds2

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

1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene (PubChem CID 170998806) has the molecular formula C8H4F5IO and a molecular weight of 338.01 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene
PubChem CID170998806
Molecular FormulaC8H4F5IO
Molecular Weight338.01 g/mol
Exact Mass337.92
IUPAC Name1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene
SMILESFC(F)c1cc(I)cc(OC(F)(F)F)c1
InChIInChI=1S/C8H4F5IO/c9-7(10)4-1-5(14)3-6(2-4)15-8(11,12)13/h1-3,7H
InChIKeyMCQHNOJAOYMZEM-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.01
LogP ≤ 54.13
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

1-chloro-3-iodo-5-(trifluoromethoxy)benzene
CID 148567184
3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide
CID 170998897
1-[3-(difluoromethyl)-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134622513
3-chloro-1-[3-(difluoromethyl)-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134626055
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
ethyl 2-[3-(difluoromethyl)-5-(trifluoromethoxy)phenyl]acetate
CID 170998956
(E)-3-[3-iodo-5-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 170998292
3-propan-2-yl-5-(trifluoromethoxy)phenol
CID 170367296
3-(difluoromethyl)-5-[3-(trifluoromethoxy)phenyl]aniline
CID 171394040
1-[3,5-bis(trifluoromethoxy)phenyl]-N,2,2-trimethylpropan-1-amine
CID 139965827
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
3,5-bis(trifluoromethoxy)benzenethiol
CID 87333511

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene?
The IUPAC name of 1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene (CID 170998806) is 1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene is FC(F)c1cc(I)cc(OC(F)(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene?
The InChIKey is MCQHNOJAOYMZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5IO/c9-7(10)4-1-5(14)3-6(2-4)15-8(11,12)13/h1-3,7H.
What are the key properties of 1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene?
1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene has a molecular weight of 338.01 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 170998806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).