4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol

C7H5F9O — CID 2775815

IUPAC4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol
SMILESOCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h1-2,17H,3H2
InChIKeyPJZRJKWUZCHGGW-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.00
Rot. Bonds4

About 4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol

4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol (PubChem CID 2775815) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol
PubChem CID2775815
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol
SMILESOCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h1-2,17H,3H2
InChIKeyPJZRJKWUZCHGGW-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol?
The IUPAC name of 4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol (CID 2775815) is 4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol.
What is the SMILES notation for 4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol?
The canonical SMILES for 4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol is OCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol?
The InChIKey is PJZRJKWUZCHGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h1-2,17H,3H2.
What are the key properties of 4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol?
4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol has a molecular weight of 276.10 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol is sourced from PubChem (CID 2775815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).