phosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate

C10H15F2O2P — CID 123698256

IUPACphosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate
SMILESC=CCC(C)(F)C(F)(C=CC)C(=O)OP
InChIInChI=1S/C10H15F2O2P/c1-4-6-9(3,11)10(12,7-5-2)8(13)14-15/h4-5,7H,1,6,15H2,2-3H3
InChIKeyUNBPBNKEYDBQQD-UHFFFAOYSA-N
MW236.20 g/mol
LogP2.91
Rot. Bonds5

About phosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate

phosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate (PubChem CID 123698256) has the molecular formula C10H15F2O2P and a molecular weight of 236.20 g/mol. Its IUPAC name is phosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate.

Molecular Properties

Compound Namephosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate
PubChem CID123698256
Molecular FormulaC10H15F2O2P
Molecular Weight236.20 g/mol
Exact Mass236.08
IUPAC Namephosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate
SMILESC=CCC(C)(F)C(F)(C=CC)C(=O)OP
InChIInChI=1S/C10H15F2O2P/c1-4-6-9(3,11)10(12,7-5-2)8(13)14-15/h4-5,7H,1,6,15H2,2-3H3
InChIKeyUNBPBNKEYDBQQD-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate?
The IUPAC name of phosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate (CID 123698256) is phosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate.
What is the SMILES notation for phosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate?
The canonical SMILES for phosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate is C=CCC(C)(F)C(F)(C=CC)C(=O)OP.
What is the InChIKey of phosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate?
The InChIKey is UNBPBNKEYDBQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2O2P/c1-4-6-9(3,11)10(12,7-5-2)8(13)14-15/h4-5,7H,1,6,15H2,2-3H3.
What are the key properties of phosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate?
phosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate has a molecular weight of 236.20 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate is sourced from PubChem (CID 123698256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).