4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol

C11H4F17IO — CID 53395641

IUPAC4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol
SMILESOCC(I)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H4F17IO/c12-4(13,1-3(29)2-30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1,30H,2H2
InChIKeySXRMLCYYQWTVLG-UHFFFAOYSA-N
MW602.02 g/mol
LogP6.31
Rot. Bonds8

About 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol (PubChem CID 53395641) has the molecular formula C11H4F17IO and a molecular weight of 602.02 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol
PubChem CID53395641
Molecular FormulaC11H4F17IO
Molecular Weight602.02 g/mol
Exact Mass601.90
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol
SMILESOCC(I)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H4F17IO/c12-4(13,1-3(29)2-30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1,30H,2H2
InChIKeySXRMLCYYQWTVLG-UHFFFAOYSA-N
XLogP6.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.02
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-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

4,4,5,5,6,6,6-Heptafluoro-2-iodohex-2-en-1-ol
CID 614586
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoronon-2-en-1-ol
CID 2776183
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundec-2-en-1-ol
CID 2776330
(2Z)-4,4,5,5,6,6,6-Heptafluoro-2-iodohex-2-en-1-ol
CID 5706480
3-(Perfluoro-n-hexyl)prop-2-en-1-ol
CID 5708693
(2Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-iodonon-2-en-1-ol
CID 5708695
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-iodonon-2-en-1-ol
CID 550612
(2Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoronon-2-en-1-ol
CID 14008837
3,4,4,5,5,6,6,7,7,8,8,8aDodecafluoroocta2aena1aol
CID 72781455
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10aHexadecafluorodeca2aena1aol
CID 162396495
1H,1H,3H-2-Iodoperfluoroundec-2-en-1-ol
CID 44717399
4,4,5,5,5-Pentafluoro-2-iodo-2-pentene-1-ol
CID 54432603

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol (CID 53395641) is 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol is OCC(I)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol?
The InChIKey is SXRMLCYYQWTVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F17IO/c12-4(13,1-3(29)2-30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1,30H,2H2.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol?
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol has a molecular weight of 602.02 g/mol, XLogP of 6.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol is sourced from PubChem (CID 53395641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).