(3R)-3-fluoro-5-iodo-2-methylpentan-2-ol

C6H12FIO — CID 90154777

IUPAC(3R)-3-fluoro-5-iodo-2-methylpentan-2-ol
SMILESCC(C)(O)[C@H](F)CCI
InChIInChI=1S/C6H12FIO/c1-6(2,9)5(7)3-4-8/h5,9H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyUPAVVNAWYSHWCG-RXMQYKEDSA-N
MW246.06 g/mol
LogP1.92
Rot. Bonds3

About (3R)-3-fluoro-5-iodo-2-methylpentan-2-ol

(3R)-3-fluoro-5-iodo-2-methylpentan-2-ol (PubChem CID 90154777) has the molecular formula C6H12FIO and a molecular weight of 246.06 g/mol. Its IUPAC name is (3R)-3-fluoro-5-iodo-2-methylpentan-2-ol.

Molecular Properties

Compound Name(3R)-3-fluoro-5-iodo-2-methylpentan-2-ol
PubChem CID90154777
Molecular FormulaC6H12FIO
Molecular Weight246.06 g/mol
Exact Mass245.99
IUPAC Name(3R)-3-fluoro-5-iodo-2-methylpentan-2-ol
SMILESCC(C)(O)[C@H](F)CCI
InChIInChI=1S/C6H12FIO/c1-6(2,9)5(7)3-4-8/h5,9H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyUPAVVNAWYSHWCG-RXMQYKEDSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-5-iodo-2-methylpentan-2-ol?
The IUPAC name of (3R)-3-fluoro-5-iodo-2-methylpentan-2-ol (CID 90154777) is (3R)-3-fluoro-5-iodo-2-methylpentan-2-ol.
What is the SMILES notation for (3R)-3-fluoro-5-iodo-2-methylpentan-2-ol?
The canonical SMILES for (3R)-3-fluoro-5-iodo-2-methylpentan-2-ol is CC(C)(O)[C@H](F)CCI.
What is the InChIKey of (3R)-3-fluoro-5-iodo-2-methylpentan-2-ol?
The InChIKey is UPAVVNAWYSHWCG-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12FIO/c1-6(2,9)5(7)3-4-8/h5,9H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (3R)-3-fluoro-5-iodo-2-methylpentan-2-ol?
(3R)-3-fluoro-5-iodo-2-methylpentan-2-ol has a molecular weight of 246.06 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-5-iodo-2-methylpentan-2-ol is sourced from PubChem (CID 90154777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).