1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane

C7H12F3IO — CID 114774571

IUPAC1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane
SMILESCC(OC(C)(C)CI)C(F)(F)F
InChIInChI=1S/C7H12F3IO/c1-5(7(8,9)10)12-6(2,3)4-11/h5H,4H2,1-3H3
InChIKeyVXHHSDNJVIJXQB-UHFFFAOYSA-N
MW296.07 g/mol
LogP3.17
Rot. Bonds3

About 1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane

1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane (PubChem CID 114774571) has the molecular formula C7H12F3IO and a molecular weight of 296.07 g/mol. Its IUPAC name is 1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane.

Molecular Properties

Compound Name1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane
PubChem CID114774571
Molecular FormulaC7H12F3IO
Molecular Weight296.07 g/mol
Exact Mass295.99
IUPAC Name1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane
SMILESCC(OC(C)(C)CI)C(F)(F)F
InChIInChI=1S/C7H12F3IO/c1-5(7(8,9)10)12-6(2,3)4-11/h5H,4H2,1-3H3
InChIKeyVXHHSDNJVIJXQB-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.07
LogP ≤ 53.17
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

2-(difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
(1-iodo-2-methylpropan-2-yl) N-(1,1,1-trifluorobutan-2-yl)carbamate
CID 162553733
(3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane
CID 168729792
(2S)-2-fluoro-1,2-diiodopropane
CID 173497800
2-(chloromethoxy)-1,1,1-trifluoropropane
CID 55303779
1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707
1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
CID 129234675
2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]propan-2-amine
CID 66275746
[2-iodo-1-(1,1,1-trifluoropropan-2-yloxy)ethyl]benzene
CID 114774573
2-(1,1,1-trifluoropropan-2-yloxy)acetonitrile
CID 66276756
1-(iodomethyl)-4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexane
CID 114774560
[(2R)-1,1,1-trifluoropropan-2-yl] formate
CID 87244754

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane?
The IUPAC name of 1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane (CID 114774571) is 1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane.
What is the SMILES notation for 1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane?
The canonical SMILES for 1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane is CC(OC(C)(C)CI)C(F)(F)F.
What is the InChIKey of 1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane?
The InChIKey is VXHHSDNJVIJXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3IO/c1-5(7(8,9)10)12-6(2,3)4-11/h5H,4H2,1-3H3.
What are the key properties of 1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane?
1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane has a molecular weight of 296.07 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane is sourced from PubChem (CID 114774571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).