4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol

C6H4F7IO — CID 614370

IUPAC4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol
SMILESOCC(I)=CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F7IO/c7-4(5(8,9)10,6(11,12)13)1-3(14)2-15/h1,15H,2H2
InChIKeyRLTYZSOFMJFAHD-UHFFFAOYSA-N
MW351.99 g/mol
LogP3.13
Rot. Bonds2

About 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol

4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol (PubChem CID 614370) has the molecular formula C6H4F7IO and a molecular weight of 351.99 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol
PubChem CID614370
Molecular FormulaC6H4F7IO
Molecular Weight351.99 g/mol
Exact Mass351.92
IUPAC Name4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol
SMILESOCC(I)=CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F7IO/c7-4(5(8,9)10,6(11,12)13)1-3(14)2-15/h1,15H,2H2
InChIKeyRLTYZSOFMJFAHD-UHFFFAOYSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.99
LogP ≤ 53.13
H-Bond Donors ≤ 51
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 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol?
The IUPAC name of 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol (CID 614370) is 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol.
What is the SMILES notation for 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol?
The canonical SMILES for 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol is OCC(I)=CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol?
The InChIKey is RLTYZSOFMJFAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F7IO/c7-4(5(8,9)10,6(11,12)13)1-3(14)2-15/h1,15H,2H2.
What are the key properties of 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol?
4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol has a molecular weight of 351.99 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol is sourced from PubChem (CID 614370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).