(2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol

C5H9FINO2 — CID 129300060

IUPAC(2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol
SMILES[H]/N=C/[C@@H](F)[C@@H](I)[C@H](O)CO
InChIInChI=1S/C5H9FINO2/c6-3(1-8)5(7)4(10)2-9/h1,3-5,8-10H,2H2/b8-1+/t3-,4-,5-/m1/s1
InChIKeyLWGIDOWNKLJTEQ-NHBARTOGSA-N
MW261.03 g/mol
LogP0.13
Rot. Bonds4

About (2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol

(2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol (PubChem CID 129300060) has the molecular formula C5H9FINO2 and a molecular weight of 261.03 g/mol. Its IUPAC name is (2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol.

Molecular Properties

Compound Name(2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol
PubChem CID129300060
Molecular FormulaC5H9FINO2
Molecular Weight261.03 g/mol
Exact Mass260.97
IUPAC Name(2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol
SMILES[H]/N=C/[C@@H](F)[C@@H](I)[C@H](O)CO
InChIInChI=1S/C5H9FINO2/c6-3(1-8)5(7)4(10)2-9/h1,3-5,8-10H,2H2/b8-1+/t3-,4-,5-/m1/s1
InChIKeyLWGIDOWNKLJTEQ-NHBARTOGSA-N
XLogP0.13
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.03
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol?
The IUPAC name of (2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol (CID 129300060) is (2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol.
What is the SMILES notation for (2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol?
The canonical SMILES for (2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol is [H]/N=C/[C@@H](F)[C@@H](I)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol?
The InChIKey is LWGIDOWNKLJTEQ-NHBARTOGSA-N. The full InChI is InChI=1S/C5H9FINO2/c6-3(1-8)5(7)4(10)2-9/h1,3-5,8-10H,2H2/b8-1+/t3-,4-,5-/m1/s1.
What are the key properties of (2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol?
(2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol has a molecular weight of 261.03 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol is sourced from PubChem (CID 129300060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).