1-fluoro-2-(fluoromethyl)-3-iodobutane

C5H9F2I — CID 146992192

IUPAC1-fluoro-2-(fluoromethyl)-3-iodobutane
SMILESCC(I)C(CF)CF
InChIInChI=1S/C5H9F2I/c1-4(8)5(2-6)3-7/h4-5H,2-3H2,1H3
InChIKeyAQKFWKFEHGZQID-UHFFFAOYSA-N
MW234.03 g/mol
LogP2.37
Rot. Bonds3

About 1-fluoro-2-(fluoromethyl)-3-iodobutane

1-fluoro-2-(fluoromethyl)-3-iodobutane (PubChem CID 146992192) has the molecular formula C5H9F2I and a molecular weight of 234.03 g/mol. Its IUPAC name is 1-fluoro-2-(fluoromethyl)-3-iodobutane.

Molecular Properties

Compound Name1-fluoro-2-(fluoromethyl)-3-iodobutane
PubChem CID146992192
Molecular FormulaC5H9F2I
Molecular Weight234.03 g/mol
Exact Mass233.97
IUPAC Name1-fluoro-2-(fluoromethyl)-3-iodobutane
SMILESCC(I)C(CF)CF
InChIInChI=1S/C5H9F2I/c1-4(8)5(2-6)3-7/h4-5H,2-3H2,1H3
InChIKeyAQKFWKFEHGZQID-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.03
LogP ≤ 52.37
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 1-fluoro-2-(fluoromethyl)-3-iodobutane?
The IUPAC name of 1-fluoro-2-(fluoromethyl)-3-iodobutane (CID 146992192) is 1-fluoro-2-(fluoromethyl)-3-iodobutane.
What is the SMILES notation for 1-fluoro-2-(fluoromethyl)-3-iodobutane?
The canonical SMILES for 1-fluoro-2-(fluoromethyl)-3-iodobutane is CC(I)C(CF)CF.
What is the InChIKey of 1-fluoro-2-(fluoromethyl)-3-iodobutane?
The InChIKey is AQKFWKFEHGZQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2I/c1-4(8)5(2-6)3-7/h4-5H,2-3H2,1H3.
What are the key properties of 1-fluoro-2-(fluoromethyl)-3-iodobutane?
1-fluoro-2-(fluoromethyl)-3-iodobutane has a molecular weight of 234.03 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(fluoromethyl)-3-iodobutane is sourced from PubChem (CID 146992192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).