1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol

C5H7F5O — CID 71308977

IUPAC1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol
SMILES[2H]C([2H])(O)C([2H])([2H])C([2H])([2H])C(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5O/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2/i1D2,2D2,3D2
InChIKeyQROUUECTKRZFHF-NMFSSPJFSA-N
MW184.14 g/mol
LogP1.96
Rot. Bonds3

About 1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol

1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol (PubChem CID 71308977) has the molecular formula C5H7F5O and a molecular weight of 184.14 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol.

Molecular Properties

Compound Name1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol
PubChem CID71308977
Molecular FormulaC5H7F5O
Molecular Weight184.14 g/mol
Exact Mass184.08
IUPAC Name1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol
SMILES[2H]C([2H])(O)C([2H])([2H])C([2H])([2H])C(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5O/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2/i1D2,2D2,3D2
InChIKeyQROUUECTKRZFHF-NMFSSPJFSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Heptafluorobutanol
CID 9776
2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
CID 9641
Hexafluoroamylene glycol
CID 67831
3,3,4,4,4-Pentafluorobutan-1-ol
CID 108644
4,4,4-Trifluorobutan-1-ol
CID 136307
Dodecafluoroheptanol
CID 67639
1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 74883
3,3,4,4,5,5,5-Heptafluoropentan-2-ol
CID 78992
2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol
CID 136181
2,2,3,4,4,4-Hexafluorobutan-1-ol
CID 533990
3,3,4,4,5,5,5-Heptafluoropentan-1-ol
CID 2782534
4,4,5,5,5-Pentafluoropentan-1-ol
CID 547967

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol?
The IUPAC name of 1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol (CID 71308977) is 1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol.
What is the SMILES notation for 1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol?
The canonical SMILES for 1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol is [2H]C([2H])(O)C([2H])([2H])C([2H])([2H])C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol?
The InChIKey is QROUUECTKRZFHF-NMFSSPJFSA-N. The full InChI is InChI=1S/C5H7F5O/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2/i1D2,2D2,3D2.
What are the key properties of 1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol?
1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol has a molecular weight of 184.14 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol is sourced from PubChem (CID 71308977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).