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

C6H6F7IO — CID 7016314

IUPAC(2S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol
SMILESOC[C@@H](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/t3-/m0/s1
InChIKeyVCOYOPKEJYAJCN-VKHMYHEASA-N
MW354.00 g/mol
LogP3.01
Rot. Bonds3

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

(2S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol (PubChem CID 7016314) has the molecular formula C6H6F7IO and a molecular weight of 354.00 g/mol. Its IUPAC name is (2S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name(2S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol
PubChem CID7016314
Molecular FormulaC6H6F7IO
Molecular Weight354.00 g/mol
Exact Mass353.94
IUPAC Name(2S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol
SMILESOC[C@@H](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/t3-/m0/s1
InChIKeyVCOYOPKEJYAJCN-VKHMYHEASA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol?
The IUPAC name of (2S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol (CID 7016314) is (2S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for (2S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for (2S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol is OC[C@@H](I)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol?
The InChIKey is VCOYOPKEJYAJCN-VKHMYHEASA-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/t3-/m0/s1.
What are the key properties of (2S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol?
(2S)-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 (2S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 7016314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).