1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene

C7H7F2IO — CID 67558121

IUPAC1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene
SMILESCOC1C=C(F)C(I)=C(F)C1
InChIInChI=1S/C7H7F2IO/c1-11-4-2-5(8)7(10)6(9)3-4/h2,4H,3H2,1H3
InChIKeyMSEWYACUHQQBRO-UHFFFAOYSA-N
MW272.03 g/mol
LogP2.87
Rot. Bonds1

About 1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene

1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene (PubChem CID 67558121) has the molecular formula C7H7F2IO and a molecular weight of 272.03 g/mol. Its IUPAC name is 1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene
PubChem CID67558121
Molecular FormulaC7H7F2IO
Molecular Weight272.03 g/mol
Exact Mass271.95
IUPAC Name1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene
SMILESCOC1C=C(F)C(I)=C(F)C1
InChIInChI=1S/C7H7F2IO/c1-11-4-2-5(8)7(10)6(9)3-4/h2,4H,3H2,1H3
InChIKeyMSEWYACUHQQBRO-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.03
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5-Pentafluoroanisole
CID 129674744
1,3,5-Trifluoro-5-methoxycyclohexa-1,3-diene
CID 18439594
5-(Difluoromethoxy)-5-iodocyclohexa-1,3-diene
CID 69109366
2,3,5-Trifluoro-6-methoxycyclohexa-1,3-diene
CID 117790218
2,5-Difluoro-6-methoxycyclohexa-1,3-diene
CID 117790320
1,6-Difluoro-5-methoxycyclohexa-1,3-diene
CID 123605319
1,2,3-Trifluoro-5-methoxycyclohexa-1,3-diene
CID 126490298
1,2,3,4,5-Pentafluoro-6-methoxycyclohexa-1,3-diene
CID 154556019
1,5-Difluoro-6-methoxycyclohexa-1,3-diene
CID 164023111
1,2,5-Trifluoro-6-methoxycyclohexa-1,3-diene
CID 164131112
1,2,4,5-Tetrafluoro-5-methoxycyclohexa-1,3-diene
CID 173197701
4,5-Difluoro-6-methoxycyclohexa-1,2,4-triene
CID 176419655

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene?
The IUPAC name of 1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene (CID 67558121) is 1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene is COC1C=C(F)C(I)=C(F)C1.
What is the InChIKey of 1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene?
The InChIKey is MSEWYACUHQQBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2IO/c1-11-4-2-5(8)7(10)6(9)3-4/h2,4H,3H2,1H3.
What are the key properties of 1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene?
1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene has a molecular weight of 272.03 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-iodo-5-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 67558121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).