1,1,1,2-tetrafluoro-4-iodo-2-methylbutane

C5H7F4I — CID 58901112

IUPAC1,1,1,2-tetrafluoro-4-iodo-2-methylbutane
SMILESCC(F)(CCI)C(F)(F)F
InChIInChI=1S/C5H7F4I/c1-4(6,2-3-10)5(7,8)9/h2-3H2,1H3
InChIKeyXWHXPONJTMIDTQ-UHFFFAOYSA-N
MW270.01 g/mol
LogP3.10
Rot. Bonds2

About 1,1,1,2-tetrafluoro-4-iodo-2-methylbutane

1,1,1,2-tetrafluoro-4-iodo-2-methylbutane (PubChem CID 58901112) has the molecular formula C5H7F4I and a molecular weight of 270.01 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-4-iodo-2-methylbutane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-4-iodo-2-methylbutane
PubChem CID58901112
Molecular FormulaC5H7F4I
Molecular Weight270.01 g/mol
Exact Mass269.95
IUPAC Name1,1,1,2-tetrafluoro-4-iodo-2-methylbutane
SMILESCC(F)(CCI)C(F)(F)F
InChIInChI=1S/C5H7F4I/c1-4(6,2-3-10)5(7,8)9/h2-3H2,1H3
InChIKeyXWHXPONJTMIDTQ-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.01
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2-tetrafluoro-4-iodo-2-methylbutane 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

1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane
CID 629659
1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane
CID 2759377
1-Iodo-3-(trifluoromethyl)-1,1,3,4,4,4-hexafluorobutane
CID 58915552
1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)pentane
CID 2782603
1,1,1-Trifluoro-3-iodo-2-methylbutane
CID 12578241
1,1,1-Trifluoro-2-(iodomethyl)butane
CID 12578255
1,1,1,2-Tetrafluoro-2-iodobutane
CID 13951928
4,4,4-Trifluoro-3-methyl-1-iodo-butane
CID 19090856
1,1,1,3,3-Pentafluoro-3-iodo-2-methylpropane
CID 19781236
1,1,1,3,3,3-Hexafluoro-2-iodo-2-methylpropane
CID 19898071
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-iodo-4-methylpentane
CID 20130832
1,1,1,2,2,4,4,4-Octafluoro-3-iodo-3-methylbutane
CID 20130833

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-4-iodo-2-methylbutane?
The IUPAC name of 1,1,1,2-tetrafluoro-4-iodo-2-methylbutane (CID 58901112) is 1,1,1,2-tetrafluoro-4-iodo-2-methylbutane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-4-iodo-2-methylbutane?
The canonical SMILES for 1,1,1,2-tetrafluoro-4-iodo-2-methylbutane is CC(F)(CCI)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-4-iodo-2-methylbutane?
The InChIKey is XWHXPONJTMIDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4I/c1-4(6,2-3-10)5(7,8)9/h2-3H2,1H3.
What are the key properties of 1,1,1,2-tetrafluoro-4-iodo-2-methylbutane?
1,1,1,2-tetrafluoro-4-iodo-2-methylbutane has a molecular weight of 270.01 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-4-iodo-2-methylbutane is sourced from PubChem (CID 58901112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).