2-fluoro-3-iodo-2-methylpentane

C6H12FI — CID 15394943

IUPAC2-fluoro-3-iodo-2-methylpentane
SMILESCCC(I)C(C)(C)F
InChIInChI=1S/C6H12FI/c1-4-5(8)6(2,3)7/h5H,4H2,1-3H3
InChIKeyLHLHLAPANQSRLM-UHFFFAOYSA-N
MW230.06 g/mol
LogP2.95
Rot. Bonds2

About 2-fluoro-3-iodo-2-methylpentane

2-fluoro-3-iodo-2-methylpentane (PubChem CID 15394943) has the molecular formula C6H12FI and a molecular weight of 230.06 g/mol. Its IUPAC name is 2-fluoro-3-iodo-2-methylpentane.

Molecular Properties

Compound Name2-fluoro-3-iodo-2-methylpentane
PubChem CID15394943
Molecular FormulaC6H12FI
Molecular Weight230.06 g/mol
Exact Mass230.00
IUPAC Name2-fluoro-3-iodo-2-methylpentane
SMILESCCC(I)C(C)(C)F
InChIInChI=1S/C6H12FI/c1-4-5(8)6(2,3)7/h5H,4H2,1-3H3
InChIKeyLHLHLAPANQSRLM-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-iodo-2-methylpentane?
The IUPAC name of 2-fluoro-3-iodo-2-methylpentane (CID 15394943) is 2-fluoro-3-iodo-2-methylpentane.
What is the SMILES notation for 2-fluoro-3-iodo-2-methylpentane?
The canonical SMILES for 2-fluoro-3-iodo-2-methylpentane is CCC(I)C(C)(C)F.
What is the InChIKey of 2-fluoro-3-iodo-2-methylpentane?
The InChIKey is LHLHLAPANQSRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FI/c1-4-5(8)6(2,3)7/h5H,4H2,1-3H3.
What are the key properties of 2-fluoro-3-iodo-2-methylpentane?
2-fluoro-3-iodo-2-methylpentane has a molecular weight of 230.06 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iodo-2-methylpentane is sourced from PubChem (CID 15394943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).