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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Related Compounds

3,3-difluoro-2-methoxypent-1-ene
CID 143721934
3-chloro-2-methoxy-3-methylbut-1-ene
CID 144521086
fluoromethane;2-methoxyprop-1-ene
CID 143721713
O-methyl 2,2-difluoropropanethioate
CID 54135375
N-(1-methoxyethenyl)methanimine
CID 123326065
1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride
CID 157459309
(3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene
CID 178140699
dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate
CID 2737119
1-methoxyethenethiolate
CID 134871761
1-chloro-1-methoxyethene
CID 20553412
2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene
CID 22897553
methyl 4-(trifluoromethyl)pent-4-en-2-ynoate
CID 166449226

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).