1,2-difluoro-2-iodopropane

C3H5F2I — CID 175825476

IUPAC1,2-difluoro-2-iodopropane
SMILESCC(F)(I)CF
InChIInChI=1S/C3H5F2I/c1-3(5,6)2-4/h2H2,1H3
InChIKeyKVZJKCVJSHLUIR-UHFFFAOYSA-N
MW205.97 g/mol
LogP2.08
Rot. Bonds1

About 1,2-difluoro-2-iodopropane

1,2-difluoro-2-iodopropane (PubChem CID 175825476) has the molecular formula C3H5F2I and a molecular weight of 205.97 g/mol. Its IUPAC name is 1,2-difluoro-2-iodopropane.

Molecular Properties

Compound Name1,2-difluoro-2-iodopropane
PubChem CID175825476
Molecular FormulaC3H5F2I
Molecular Weight205.97 g/mol
Exact Mass205.94
IUPAC Name1,2-difluoro-2-iodopropane
SMILESCC(F)(I)CF
InChIInChI=1S/C3H5F2I/c1-3(5,6)2-4/h2H2,1H3
InChIKeyKVZJKCVJSHLUIR-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.97
LogP ≤ 52.08
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'}

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Related Compounds

(2S)-2-fluoro-1,2-diiodopropane
CID 173497800
trifluoro(iodo)methane;zinc
CID 88708055
(3,3,3-trifluoro-2,2-dimethylpropyl) hypoiodite
CID 147653939
CID 114986648
CID 114986648
1,1,1-trifluoro-4-iodo-4-methylpentane
CID 162614405
2,2-difluoropropane
CID 160894634
1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
(2R)-2-bromo-1,1,1-trifluoro-2-iodopropane
CID 95757028
1,1,1-trifluoroethane;1,1,2-trifluoroethane
CID 157050419
1,3-difluoro-2-methylpropan-2-amine
CID 10964647
2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane
CID 23261775

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-2-iodopropane?
The IUPAC name of 1,2-difluoro-2-iodopropane (CID 175825476) is 1,2-difluoro-2-iodopropane.
What is the SMILES notation for 1,2-difluoro-2-iodopropane?
The canonical SMILES for 1,2-difluoro-2-iodopropane is CC(F)(I)CF.
What is the InChIKey of 1,2-difluoro-2-iodopropane?
The InChIKey is KVZJKCVJSHLUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2I/c1-3(5,6)2-4/h2H2,1H3.
What are the key properties of 1,2-difluoro-2-iodopropane?
1,2-difluoro-2-iodopropane has a molecular weight of 205.97 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-2-iodopropane is sourced from PubChem (CID 175825476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).