5,5-difluoronon-3-en-1-ol

C9H16F2O — CID 123837209

IUPAC5,5-difluoronon-3-en-1-ol
SMILESCCCCC(F)(F)C=CCCO
InChIInChI=1S/C9H16F2O/c1-2-3-6-9(10,11)7-4-5-8-12/h4,7,12H,2-3,5-6,8H2,1H3
InChIKeySGEJZGHNDXBFJY-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.75
Rot. Bonds6

About 5,5-difluoronon-3-en-1-ol

5,5-difluoronon-3-en-1-ol (PubChem CID 123837209) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 5,5-difluoronon-3-en-1-ol.

Molecular Properties

Compound Name5,5-difluoronon-3-en-1-ol
PubChem CID123837209
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name5,5-difluoronon-3-en-1-ol
SMILESCCCCC(F)(F)C=CCCO
InChIInChI=1S/C9H16F2O/c1-2-3-6-9(10,11)7-4-5-8-12/h4,7,12H,2-3,5-6,8H2,1H3
InChIKeySGEJZGHNDXBFJY-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Nonen-1-ol, (3E)-
CID 5352807
3-Octen-1-ol, (3Z)-
CID 5364519
3-Nonen-1-ol, (3Z)-
CID 5364631
4-Decenol, (4Z)-
CID 5362798
trans-3-Octen-1-ol
CID 5364475
(Z,Z)-3,6-Dodecadien-1-ol
CID 12352610
3-Octen-1-ol
CID 28937
3-Decen-1-ol, (3E)-
CID 5352493
3-Decen-1-ol, (3Z)-
CID 5352846
3-Dodecen-1-ol, (3E)-
CID 5364625
3-Dodecen-1-ol, (3Z)-
CID 5364626
3-Tetradecen-1-ol, (3E)-
CID 6427129

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoronon-3-en-1-ol?
The IUPAC name of 5,5-difluoronon-3-en-1-ol (CID 123837209) is 5,5-difluoronon-3-en-1-ol.
What is the SMILES notation for 5,5-difluoronon-3-en-1-ol?
The canonical SMILES for 5,5-difluoronon-3-en-1-ol is CCCCC(F)(F)C=CCCO.
What is the InChIKey of 5,5-difluoronon-3-en-1-ol?
The InChIKey is SGEJZGHNDXBFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-2-3-6-9(10,11)7-4-5-8-12/h4,7,12H,2-3,5-6,8H2,1H3.
What are the key properties of 5,5-difluoronon-3-en-1-ol?
5,5-difluoronon-3-en-1-ol has a molecular weight of 178.22 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoronon-3-en-1-ol is sourced from PubChem (CID 123837209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).