(3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite

C5H8F3IO — CID 147653939

IUPAC(3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite
SMILESCC(C)(COI)C(F)(F)F
InChIInChI=1S/C5H8F3IO/c1-4(2,3-10-9)5(6,7)8/h3H2,1-2H3
InChIKeyGKAURPPGNCKLCM-UHFFFAOYSA-N
MW268.02 g/mol
LogP2.94
Rot. Bonds2

About (3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite

(3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite (PubChem CID 147653939) has the molecular formula C5H8F3IO and a molecular weight of 268.02 g/mol. Its IUPAC name is (3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite.

Molecular Properties

Compound Name(3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite
PubChem CID147653939
Molecular FormulaC5H8F3IO
Molecular Weight268.02 g/mol
Exact Mass267.96
IUPAC Name(3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite
SMILESCC(C)(COI)C(F)(F)F
InChIInChI=1S/C5H8F3IO/c1-4(2,3-10-9)5(6,7)8/h3H2,1-2H3
InChIKeyGKAURPPGNCKLCM-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.02
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite 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

1,2-difluoro-2-iodopropane
CID 175825476
3,3,3-trifluoro-2,2-dimethylpropan-1-ol
CID 59951355
4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine
CID 172566523
1-(3,3,3-trifluoro-2,2-dimethylpropoxy)-4-(trifluoromethyl)benzene
CID 89280701
2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite
CID 122591444
methoxymethane;1,1,1,2,2-pentafluoropropane;1,1,1,2-tetrafluoroethane
CID 158386104
1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane
CID 21062401
ethane;1,1,1-trifluoro-2,2-dimethylpentane
CID 157037370
1-(2,2-difluoropropoxy)-2,2-difluoropropane
CID 142789331
4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane
CID 137409312
2,2,2-trifluoroethoxymethyl hypoiodite
CID 156529351
2,2,3,3,4,4,5,5-octafluoropentyl hypoiodite
CID 148632122

Frequently Asked Questions

What is the IUPAC name of (3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite?
The IUPAC name of (3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite (CID 147653939) is (3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite.
What is the SMILES notation for (3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite?
The canonical SMILES for (3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite is CC(C)(COI)C(F)(F)F.
What is the InChIKey of (3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite?
The InChIKey is GKAURPPGNCKLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3IO/c1-4(2,3-10-9)5(6,7)8/h3H2,1-2H3.
What are the key properties of (3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite?
(3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite has a molecular weight of 268.02 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite is sourced from PubChem (CID 147653939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).