(3R)-1,3-diiodobutane

C4H8I2 — CID 76764224

IUPAC(3R)-1,3-diiodobutane
SMILESC[C@@H](I)CCI
InChIInChI=1S/C4H8I2/c1-4(6)2-3-5/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyZFMSVHPAOMPMMF-SCSAIBSYSA-N
MW309.92 g/mol
LogP2.63
Rot. Bonds2

About (3R)-1,3-diiodobutane

(3R)-1,3-diiodobutane (PubChem CID 76764224) has the molecular formula C4H8I2 and a molecular weight of 309.92 g/mol. Its IUPAC name is (3R)-1,3-diiodobutane.

Molecular Properties

Compound Name(3R)-1,3-diiodobutane
PubChem CID76764224
Molecular FormulaC4H8I2
Molecular Weight309.92 g/mol
Exact Mass309.87
IUPAC Name(3R)-1,3-diiodobutane
SMILESC[C@@H](I)CCI
InChIInChI=1S/C4H8I2/c1-4(6)2-3-5/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyZFMSVHPAOMPMMF-SCSAIBSYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.92
LogP ≤ 52.63
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

1,8-diiodononane
CID 168864675
1,7-diiodooctane
CID 168864689
(2R)-4-iodobutan-2-ol
CID 13089080
1,32-diiodo-3,7,11,15,18,22,26,30-octamethyldotriacontane
CID 71342609
(2R)-4-iodo-2-methylbutan-1-ol
CID 139766898
1,7-diiodo-3,5-dimethylheptan-4-ol
CID 18921089
(4S)-4,6-diiodo-3-methylhex-1-ene
CID 122544065
5-iodohexan-1-ol
CID 18921038
(5S)-5-iodohexan-1-ol
CID 139766894
2-iodooctadecane
CID 138596673
6-iodo-4-methylhex-2-yne
CID 174796032
N-ethyl-4-iodobutan-2-amine
CID 144808658

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-diiodobutane?
The IUPAC name of (3R)-1,3-diiodobutane (CID 76764224) is (3R)-1,3-diiodobutane.
What is the SMILES notation for (3R)-1,3-diiodobutane?
The canonical SMILES for (3R)-1,3-diiodobutane is C[C@@H](I)CCI.
What is the InChIKey of (3R)-1,3-diiodobutane?
The InChIKey is ZFMSVHPAOMPMMF-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H8I2/c1-4(6)2-3-5/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (3R)-1,3-diiodobutane?
(3R)-1,3-diiodobutane has a molecular weight of 309.92 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-diiodobutane is sourced from PubChem (CID 76764224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).