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

C6H6F7IO — CID 2782601

IUPAC4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol
SMILESOCC(I)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F7IO/c7-4(5(8,9)10,6(11,12)13)1-3(14)2-15/h3,15H,1-2H2
InChIKeyVCOYOPKEJYAJCN-UHFFFAOYSA-N
MW354.00 g/mol
LogP3.01
Rot. Bonds3

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

4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol (PubChem CID 2782601) has the molecular formula C6H6F7IO and a molecular weight of 354.00 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol
PubChem CID2782601
Molecular FormulaC6H6F7IO
Molecular Weight354.00 g/mol
Exact Mass353.94
IUPAC Name4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol
SMILESOCC(I)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F7IO/c7-4(5(8,9)10,6(11,12)13)1-3(14)2-15/h3,15H,1-2H2
InChIKeyVCOYOPKEJYAJCN-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.00
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(Perfluoroisopropyl)propanol
CID 542739
1H,1H,3H-Perfluoro(2,4-dimethylpentan-1-ol)
CID 2782564
2-Iodo-4,4,5,5,5-pentafluoropent-1-ol
CID 10968704
3,4,5,5,5-Pentafluoro-2-(trifluoromethyl)pentan-1-ol
CID 22897892
2,2,3,3,4,4,5,5-Octafluoro-1-iodopentan-1-ol
CID 23152245
4,5,5,5-Tetrafluoro-2-iodo-4-methylpentan-1-ol
CID 87159143
2,3,4,5,5,5-Hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol
CID 87159224
(2S)-4,4,4-trifluoro-2-iodo-3-(trifluoromethyl)butan-1-ol
CID 89337752
(3,3-Difluoro-1-iodocyclobutyl)methanol
CID 129077571
2,2,3,3,4,4,5,5-Octafluoro-5-iodopentan-1-ol
CID 132262381
2,2,3,3,4,5,5,5-Octafluoro-4-(trifluoromethyl)pentan-1-ol
CID 139794555
3,3,4,5,5,5-Hexafluoro-4-(trifluoromethyl)pentan-1-ol
CID 139794564

Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol?
The IUPAC name of 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol (CID 2782601) is 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-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)pentan-1-ol?
The InChIKey is VCOYOPKEJYAJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F7IO/c7-4(5(8,9)10,6(11,12)13)1-3(14)2-15/h3,15H,1-2H2.
What are the key properties of 4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol?
4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol has a molecular weight of 354.00 g/mol, XLogP of 3.01, 3 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)pentan-1-ol is sourced from PubChem (CID 2782601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).