(Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol

C10H13BrF2O — CID 24988352

IUPAC(Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol
SMILESCC/C=C\CCC(O)C#CC(F)(F)Br
InChIInChI=1S/C10H13BrF2O/c1-2-3-4-5-6-9(14)7-8-10(11,12)13/h3-4,9,14H,2,5-6H2,1H3/b4-3-
InChIKeyLKASHYARIJDCDH-ARJAWSKDSA-N
MW267.11 g/mol
LogP3.08
Rot. Bonds4

About (Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol

(Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol (PubChem CID 24988352) has the molecular formula C10H13BrF2O and a molecular weight of 267.11 g/mol. Its IUPAC name is (Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol.

Molecular Properties

Compound Name(Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol
PubChem CID24988352
Molecular FormulaC10H13BrF2O
Molecular Weight267.11 g/mol
Exact Mass266.01
IUPAC Name(Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol
SMILESCC/C=C\CCC(O)C#CC(F)(F)Br
InChIInChI=1S/C10H13BrF2O/c1-2-3-4-5-6-9(14)7-8-10(11,12)13/h3-4,9,14H,2,5-6H2,1H3/b4-3-
InChIKeyLKASHYARIJDCDH-ARJAWSKDSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol?
The IUPAC name of (Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol (CID 24988352) is (Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol.
What is the SMILES notation for (Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol?
The canonical SMILES for (Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol is CC/C=C\CCC(O)C#CC(F)(F)Br.
What is the InChIKey of (Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol?
The InChIKey is LKASHYARIJDCDH-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H13BrF2O/c1-2-3-4-5-6-9(14)7-8-10(11,12)13/h3-4,9,14H,2,5-6H2,1H3/b4-3-.
What are the key properties of (Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol?
(Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol has a molecular weight of 267.11 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-bromo-1,1-difluorodec-7-en-2-yn-4-ol is sourced from PubChem (CID 24988352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).