3,3-difluoro-3-iodo-2-methoxyprop-1-ene

C4H5F2IO — CID 153132696

IUPAC3,3-difluoro-3-iodo-2-methoxyprop-1-ene
SMILESC=C(OC)C(F)(F)I
InChIInChI=1S/C4H5F2IO/c1-3(8-2)4(5,6)7/h1H2,2H3
InChIKeyVXBADVMAJVVWQB-UHFFFAOYSA-N
MW233.98 g/mol
LogP2.17
Rot. Bonds2

About 3,3-difluoro-3-iodo-2-methoxyprop-1-ene

3,3-difluoro-3-iodo-2-methoxyprop-1-ene (PubChem CID 153132696) has the molecular formula C4H5F2IO and a molecular weight of 233.98 g/mol. Its IUPAC name is 3,3-difluoro-3-iodo-2-methoxyprop-1-ene.

Molecular Properties

Compound Name3,3-difluoro-3-iodo-2-methoxyprop-1-ene
PubChem CID153132696
Molecular FormulaC4H5F2IO
Molecular Weight233.98 g/mol
Exact Mass233.94
IUPAC Name3,3-difluoro-3-iodo-2-methoxyprop-1-ene
SMILESC=C(OC)C(F)(F)I
InChIInChI=1S/C4H5F2IO/c1-3(8-2)4(5,6)7/h1H2,2H3
InChIKeyVXBADVMAJVVWQB-UHFFFAOYSA-N
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.98
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 3,3-difluoro-3-iodo-2-methoxyprop-1-ene?
The IUPAC name of 3,3-difluoro-3-iodo-2-methoxyprop-1-ene (CID 153132696) is 3,3-difluoro-3-iodo-2-methoxyprop-1-ene.
What is the SMILES notation for 3,3-difluoro-3-iodo-2-methoxyprop-1-ene?
The canonical SMILES for 3,3-difluoro-3-iodo-2-methoxyprop-1-ene is C=C(OC)C(F)(F)I.
What is the InChIKey of 3,3-difluoro-3-iodo-2-methoxyprop-1-ene?
The InChIKey is VXBADVMAJVVWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2IO/c1-3(8-2)4(5,6)7/h1H2,2H3.
What are the key properties of 3,3-difluoro-3-iodo-2-methoxyprop-1-ene?
3,3-difluoro-3-iodo-2-methoxyprop-1-ene has a molecular weight of 233.98 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-iodo-2-methoxyprop-1-ene is sourced from PubChem (CID 153132696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).