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

C11H16FIO — CID 146377034

IUPAC3-fluoro-2-iodo-5-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1cc(F)c(I)o1
InChIInChI=1S/C11H16FIO/c1-4-5-6-11(2,3)9-7-8(12)10(13)14-9/h7H,4-6H2,1-3H3
InChIKeyOPMPVNZDHOJTRM-UHFFFAOYSA-N
MW310.15 g/mol
LogP4.49
Rot. Bonds4

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

3-fluoro-2-iodo-5-(2-methylhexan-2-yl)furan (PubChem CID 146377034) has the molecular formula C11H16FIO and a molecular weight of 310.15 g/mol. Its IUPAC name is 3-fluoro-2-iodo-5-(2-methylhexan-2-yl)furan.

Molecular Properties

Compound Name3-fluoro-2-iodo-5-(2-methylhexan-2-yl)furan
PubChem CID146377034
Molecular FormulaC11H16FIO
Molecular Weight310.15 g/mol
Exact Mass310.02
IUPAC Name3-fluoro-2-iodo-5-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1cc(F)c(I)o1
InChIInChI=1S/C11H16FIO/c1-4-5-6-11(2,3)9-7-8(12)10(13)14-9/h7H,4-6H2,1-3H3
InChIKeyOPMPVNZDHOJTRM-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 3-fluoro-2-iodo-5-(2-methylhexan-2-yl)furan?
The IUPAC name of 3-fluoro-2-iodo-5-(2-methylhexan-2-yl)furan (CID 146377034) is 3-fluoro-2-iodo-5-(2-methylhexan-2-yl)furan.
What is the SMILES notation for 3-fluoro-2-iodo-5-(2-methylhexan-2-yl)furan?
The canonical SMILES for 3-fluoro-2-iodo-5-(2-methylhexan-2-yl)furan is CCCCC(C)(C)c1cc(F)c(I)o1.
What is the InChIKey of 3-fluoro-2-iodo-5-(2-methylhexan-2-yl)furan?
The InChIKey is OPMPVNZDHOJTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FIO/c1-4-5-6-11(2,3)9-7-8(12)10(13)14-9/h7H,4-6H2,1-3H3.
What are the key properties of 3-fluoro-2-iodo-5-(2-methylhexan-2-yl)furan?
3-fluoro-2-iodo-5-(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 3-fluoro-2-iodo-5-(2-methylhexan-2-yl)furan is sourced from PubChem (CID 146377034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).