2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene

C10H9F4IO — CID 134444150

IUPAC2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene
SMILESCC(C)(I)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C10H9F4IO/c1-9(2,15)6-3-4-8(7(11)5-6)16-10(12,13)14/h3-5H,1-2H3
InChIKeyGFUZDBNVFBVPTP-UHFFFAOYSA-N
MW348.08 g/mol
LogP4.39
Rot. Bonds2

About 2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene

2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene (PubChem CID 134444150) has the molecular formula C10H9F4IO and a molecular weight of 348.08 g/mol. Its IUPAC name is 2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene
PubChem CID134444150
Molecular FormulaC10H9F4IO
Molecular Weight348.08 g/mol
Exact Mass347.96
IUPAC Name2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene
SMILESCC(C)(I)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C10H9F4IO/c1-9(2,15)6-3-4-8(7(11)5-6)16-10(12,13)14/h3-5H,1-2H3
InChIKeyGFUZDBNVFBVPTP-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-4-(trifluoromethoxy)phenyl]-oxosulfanium
CID 174513039
[1-amino-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,3-dimethyl-1-oxobutan-2-yl] carbamate
CID 118007001
2,4-ditert-butyl-1-(trifluoromethoxy)benzene
CID 164683677
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
2-chloro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]hexanoic acid
CID 67425886
(1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol;hydrochloride
CID 121361674
1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 135223702
4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol
CID 90022757
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene
CID 90224248
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylbutan-1-one
CID 135133798

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene?
The IUPAC name of 2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene (CID 134444150) is 2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene?
The canonical SMILES for 2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene is CC(C)(I)c1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of 2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene?
The InChIKey is GFUZDBNVFBVPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4IO/c1-9(2,15)6-3-4-8(7(11)5-6)16-10(12,13)14/h3-5H,1-2H3.
What are the key properties of 2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene?
2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene has a molecular weight of 348.08 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-iodopropan-2-yl)-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 134444150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).