(Z)-2,2-difluoroundec-8-en-3-yn-5-ol

C11H16F2O — CID 90132556

IUPAC(Z)-2,2-difluoroundec-8-en-3-yn-5-ol
SMILESCC/C=C\CCC(O)C#CC(C)(F)F
InChIInChI=1S/C11H16F2O/c1-3-4-5-6-7-10(14)8-9-11(2,12)13/h4-5,10,14H,3,6-7H2,1-2H3/b5-4-
InChIKeyNAGXJVRCXBXURQ-PLNGDYQASA-N
MW202.24 g/mol
LogP2.75
Rot. Bonds4

About (Z)-2,2-difluoroundec-8-en-3-yn-5-ol

(Z)-2,2-difluoroundec-8-en-3-yn-5-ol (PubChem CID 90132556) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is (Z)-2,2-difluoroundec-8-en-3-yn-5-ol.

Molecular Properties

Compound Name(Z)-2,2-difluoroundec-8-en-3-yn-5-ol
PubChem CID90132556
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name(Z)-2,2-difluoroundec-8-en-3-yn-5-ol
SMILESCC/C=C\CCC(O)C#CC(C)(F)F
InChIInChI=1S/C11H16F2O/c1-3-4-5-6-7-10(14)8-9-11(2,12)13/h4-5,10,14H,3,6-7H2,1-2H3/b5-4-
InChIKeyNAGXJVRCXBXURQ-PLNGDYQASA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,2-difluoroundec-8-en-3-yn-5-ol?
The IUPAC name of (Z)-2,2-difluoroundec-8-en-3-yn-5-ol (CID 90132556) is (Z)-2,2-difluoroundec-8-en-3-yn-5-ol.
What is the SMILES notation for (Z)-2,2-difluoroundec-8-en-3-yn-5-ol?
The canonical SMILES for (Z)-2,2-difluoroundec-8-en-3-yn-5-ol is CC/C=C\CCC(O)C#CC(C)(F)F.
What is the InChIKey of (Z)-2,2-difluoroundec-8-en-3-yn-5-ol?
The InChIKey is NAGXJVRCXBXURQ-PLNGDYQASA-N. The full InChI is InChI=1S/C11H16F2O/c1-3-4-5-6-7-10(14)8-9-11(2,12)13/h4-5,10,14H,3,6-7H2,1-2H3/b5-4-.
What are the key properties of (Z)-2,2-difluoroundec-8-en-3-yn-5-ol?
(Z)-2,2-difluoroundec-8-en-3-yn-5-ol has a molecular weight of 202.24 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-difluoroundec-8-en-3-yn-5-ol is sourced from PubChem (CID 90132556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).