(2S)-2-fluoro-1,2-diiodopropane

C3H5FI2 — CID 173497800

IUPAC(2S)-2-fluoro-1,2-diiodopropane
SMILESC[C@](F)(I)CI
InChIInChI=1S/C3H5FI2/c1-3(4,6)2-5/h2H2,1H3/t3-/m0/s1
InChIKeyCVAIIFXKKARVTO-VKHMYHEASA-N
MW313.88 g/mol
LogP2.54
Rot. Bonds1

About (2S)-2-fluoro-1,2-diiodopropane

(2S)-2-fluoro-1,2-diiodopropane (PubChem CID 173497800) has the molecular formula C3H5FI2 and a molecular weight of 313.88 g/mol. Its IUPAC name is (2S)-2-fluoro-1,2-diiodopropane.

Molecular Properties

Compound Name(2S)-2-fluoro-1,2-diiodopropane
PubChem CID173497800
Molecular FormulaC3H5FI2
Molecular Weight313.88 g/mol
Exact Mass313.85
IUPAC Name(2S)-2-fluoro-1,2-diiodopropane
SMILESC[C@](F)(I)CI
InChIInChI=1S/C3H5FI2/c1-3(4,6)2-5/h2H2,1H3/t3-/m0/s1
InChIKeyCVAIIFXKKARVTO-VKHMYHEASA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 52.54
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

1,2-difluoro-2-iodopropane
CID 175825476
trifluoro(iodo)methane;zinc
CID 88708055
1,3-diiodo-2-(iodomethyl)-2-methylpropane
CID 13088373
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
2-fluoro-2,3-diiodopropanoic acid
CID 129231001
1-chloro-1,1-difluoroethane;hydrate
CID 22410972
1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane
CID 114774571
2,2,3,3,4-pentafluoro-4-iodopentane
CID 139341461

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-1,2-diiodopropane?
The IUPAC name of (2S)-2-fluoro-1,2-diiodopropane (CID 173497800) is (2S)-2-fluoro-1,2-diiodopropane.
What is the SMILES notation for (2S)-2-fluoro-1,2-diiodopropane?
The canonical SMILES for (2S)-2-fluoro-1,2-diiodopropane is C[C@](F)(I)CI.
What is the InChIKey of (2S)-2-fluoro-1,2-diiodopropane?
The InChIKey is CVAIIFXKKARVTO-VKHMYHEASA-N. The full InChI is InChI=1S/C3H5FI2/c1-3(4,6)2-5/h2H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-2-fluoro-1,2-diiodopropane?
(2S)-2-fluoro-1,2-diiodopropane has a molecular weight of 313.88 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-1,2-diiodopropane is sourced from PubChem (CID 173497800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).