3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene

C7H3BrF3IS — CID 23158813

IUPAC3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene
SMILESFC(F)(F)/C=C(\I)c1cscc1Br
InChIInChI=1S/C7H3BrF3IS/c8-5-3-13-2-4(5)6(12)1-7(9,10)11/h1-3H/b6-1-
InChIKeyXOAMSUPOQXGGMB-BHQIHCQQSA-N
MW382.97 g/mol
LogP4.85
Rot. Bonds1

About 3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene

3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene (PubChem CID 23158813) has the molecular formula C7H3BrF3IS and a molecular weight of 382.97 g/mol. Its IUPAC name is 3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene.

Molecular Properties

Compound Name3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene
PubChem CID23158813
Molecular FormulaC7H3BrF3IS
Molecular Weight382.97 g/mol
Exact Mass381.81
IUPAC Name3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene
SMILESFC(F)(F)/C=C(\I)c1cscc1Br
InChIInChI=1S/C7H3BrF3IS/c8-5-3-13-2-4(5)6(12)1-7(9,10)11/h1-3H/b6-1-
InChIKeyXOAMSUPOQXGGMB-BHQIHCQQSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.97
LogP ≤ 54.85
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-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene?
The IUPAC name of 3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene (CID 23158813) is 3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene.
What is the SMILES notation for 3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene?
The canonical SMILES for 3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene is FC(F)(F)/C=C(\I)c1cscc1Br.
What is the InChIKey of 3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene?
The InChIKey is XOAMSUPOQXGGMB-BHQIHCQQSA-N. The full InChI is InChI=1S/C7H3BrF3IS/c8-5-3-13-2-4(5)6(12)1-7(9,10)11/h1-3H/b6-1-.
What are the key properties of 3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene?
3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene has a molecular weight of 382.97 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(Z)-3,3,3-trifluoro-1-iodoprop-1-enyl]thiophene is sourced from PubChem (CID 23158813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).