4,4,4-trifluoro-2-iodobut-2-en-1-ol

C4H4F3IO — CID 2782433

IUPAC4,4,4-trifluoro-2-iodobut-2-en-1-ol
SMILESOCC(I)=CC(F)(F)F
InChIInChI=1S/C4H4F3IO/c5-4(6,7)1-3(8)2-9/h1,9H,2H2
InChIKeyIKZCFFDZPLSYCR-UHFFFAOYSA-N
MW251.97 g/mol
LogP1.86
Rot. Bonds1

About 4,4,4-trifluoro-2-iodobut-2-en-1-ol

4,4,4-trifluoro-2-iodobut-2-en-1-ol (PubChem CID 2782433) has the molecular formula C4H4F3IO and a molecular weight of 251.97 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-iodobut-2-en-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2-iodobut-2-en-1-ol
PubChem CID2782433
Molecular FormulaC4H4F3IO
Molecular Weight251.97 g/mol
Exact Mass251.93
IUPAC Name4,4,4-trifluoro-2-iodobut-2-en-1-ol
SMILESOCC(I)=CC(F)(F)F
InChIInChI=1S/C4H4F3IO/c5-4(6,7)1-3(8)2-9/h1,9H,2H2
InChIKeyIKZCFFDZPLSYCR-UHFFFAOYSA-N
XLogP1.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.97
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4,4-trifluoro-2-iodobut-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-diiodoprop-2-en-1-ol
CID 72725841
(E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene
CID 11962025
(Z)-3-chloro-2-iodoprop-2-en-1-ol
CID 11694235
6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol
CID 86666682
(Z)-1,1,1,4-tetrafluoro-3-methylbut-2-ene
CID 166805463
(E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine
CID 163993547
6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol
CID 86631046
(Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol
CID 87570325
3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene
CID 123444118
(Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene
CID 121234505
(E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene
CID 87370850
8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol
CID 153324036

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-iodobut-2-en-1-ol?
The IUPAC name of 4,4,4-trifluoro-2-iodobut-2-en-1-ol (CID 2782433) is 4,4,4-trifluoro-2-iodobut-2-en-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-2-iodobut-2-en-1-ol?
The canonical SMILES for 4,4,4-trifluoro-2-iodobut-2-en-1-ol is OCC(I)=CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-iodobut-2-en-1-ol?
The InChIKey is IKZCFFDZPLSYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3IO/c5-4(6,7)1-3(8)2-9/h1,9H,2H2.
What are the key properties of 4,4,4-trifluoro-2-iodobut-2-en-1-ol?
4,4,4-trifluoro-2-iodobut-2-en-1-ol has a molecular weight of 251.97 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-iodobut-2-en-1-ol is sourced from PubChem (CID 2782433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).