2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol

C5H3F9O — CID 2782394

IUPAC2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol
SMILESOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h15H,1H2
InChIKeyPJRIQFXPYMVWOU-UHFFFAOYSA-N
MW250.06 g/mol
LogP2.45
Rot. Bonds3

About 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol

2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol (PubChem CID 2782394) has the molecular formula C5H3F9O and a molecular weight of 250.06 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol
PubChem CID2782394
Molecular FormulaC5H3F9O
Molecular Weight250.06 g/mol
Exact Mass250.00
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol
SMILESOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h15H,1H2
InChIKeyPJRIQFXPYMVWOU-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.06
LogP ≤ 52.45
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
1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 74883
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
4,4,5,5,5-Pentafluoropentan-1-ol
CID 547967
3,3,4,4,5,5,5-Heptafluoropentan-1-ol
CID 2782534
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptan-1-ol
CID 550386
3-(Perfluoropropyl)propanol
CID 2774911
5,5,5-Trifluoropentan-1-ol
CID 2769672

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol (CID 2782394) is 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol is OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol?
The InChIKey is PJRIQFXPYMVWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h15H,1H2.
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol?
2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol has a molecular weight of 250.06 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol is sourced from PubChem (CID 2782394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).