4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol

C6H9F4IO — CID 87159143

IUPAC4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol
SMILESCC(F)(CC(I)CO)C(F)(F)F
InChIInChI=1S/C6H9F4IO/c1-5(7,6(8,9)10)2-4(11)3-12/h4,12H,2-3H2,1H3
InChIKeyWUNHVCLERZMYJD-UHFFFAOYSA-N
MW300.03 g/mol
LogP2.46
Rot. Bonds3

About 4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol

4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol (PubChem CID 87159143) has the molecular formula C6H9F4IO and a molecular weight of 300.03 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol
PubChem CID87159143
Molecular FormulaC6H9F4IO
Molecular Weight300.03 g/mol
Exact Mass299.96
IUPAC Name4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol
SMILESCC(F)(CC(I)CO)C(F)(F)F
InChIInChI=1S/C6H9F4IO/c1-5(7,6(8,9)10)2-4(11)3-12/h4,12H,2-3H2,1H3
InChIKeyWUNHVCLERZMYJD-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.03
LogP ≤ 52.46
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

4,5,5,5-Tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol
CID 2782601
3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol
CID 115661
2-Fluoro-2-(trifluoromethyl)hexan-1-ol
CID 19891389
3,3,4,5,5,5-Hexafluoro-2,2-dimethylpentan-1-ol
CID 22760857
(S)-(+)-2-fluoro-2-(trifluoromethyl)-1-hexanol
CID 53700447
5,5,5-Trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol
CID 58225250
4,5,5,5-Tetrafluoro-4-methylpentan-1-ol
CID 58901235
4,5,5,5-Tetrafluoro-2,4-dimethylpentan-1-ol
CID 58918796
4,5,5,5-Tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol
CID 58918808
4,4-Difluoro-2-iodopentan-1-ol
CID 59024466
2,3,4,5,5,5-Hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol
CID 87159224
4-Fluoro-2-iodo-4-methylpentan-1-ol
CID 87159300

Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol?
The IUPAC name of 4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol (CID 87159143) is 4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol.
What is the SMILES notation for 4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol?
The canonical SMILES for 4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol is CC(F)(CC(I)CO)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol?
The InChIKey is WUNHVCLERZMYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4IO/c1-5(7,6(8,9)10)2-4(11)3-12/h4,12H,2-3H2,1H3.
What are the key properties of 4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol?
4,5,5,5-tetrafluoro-2-iodo-4-methylpentan-1-ol has a molecular weight of 300.03 g/mol, XLogP of 2.46, 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-methylpentan-1-ol is sourced from PubChem (CID 87159143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).