5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan

C11H16FIO — CID 146377027

IUPAC5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1oc(F)cc1I
InChIInChI=1S/C11H16FIO/c1-4-5-6-11(2,3)10-8(13)7-9(12)14-10/h7H,4-6H2,1-3H3
InChIKeyORWRPKPJMWTGPX-UHFFFAOYSA-N
MW310.15 g/mol
LogP4.49
Rot. Bonds4

About 5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan

5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan (PubChem CID 146377027) has the molecular formula C11H16FIO and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan.

Molecular Properties

Compound Name5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan
PubChem CID146377027
Molecular FormulaC11H16FIO
Molecular Weight310.15 g/mol
Exact Mass310.02
IUPAC Name5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1oc(F)cc1I
InChIInChI=1S/C11H16FIO/c1-4-5-6-11(2,3)10-8(13)7-9(12)14-10/h7H,4-6H2,1-3H3
InChIKeyORWRPKPJMWTGPX-UHFFFAOYSA-N
XLogP4.49
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan?
The IUPAC name of 5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan (CID 146377027) is 5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan.
What is the SMILES notation for 5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan?
The canonical SMILES for 5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan is CCCCC(C)(C)c1oc(F)cc1I.
What is the InChIKey of 5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan?
The InChIKey is ORWRPKPJMWTGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FIO/c1-4-5-6-11(2,3)10-8(13)7-9(12)14-10/h7H,4-6H2,1-3H3.
What are the key properties of 5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan?
5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan has a molecular weight of 310.15 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-iodo-2-(2-methylhexan-2-yl)furan is sourced from PubChem (CID 146377027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).