cyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane

C14H25F2O2P — CID 57050496

IUPACcyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane
SMILESFCCCCOP(CCCCF)OC1C=CCCC1
InChIInChI=1S/C14H25F2O2P/c15-10-4-6-12-17-19(13-7-5-11-16)18-14-8-2-1-3-9-14/h2,8,14H,1,3-7,9-13H2
InChIKeyZIMWYRVUWMPSDQ-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.94
Rot. Bonds11

About cyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane

cyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane (PubChem CID 57050496) has the molecular formula C14H25F2O2P and a molecular weight of 294.32 g/mol. Its IUPAC name is cyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane.

Molecular Properties

Compound Namecyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane
PubChem CID57050496
Molecular FormulaC14H25F2O2P
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Namecyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane
SMILESFCCCCOP(CCCCF)OC1C=CCCC1
InChIInChI=1S/C14H25F2O2P/c15-10-4-6-12-17-19(13-7-5-11-16)18-14-8-2-1-3-9-14/h2,8,14H,1,3-7,9-13H2
InChIKeyZIMWYRVUWMPSDQ-UHFFFAOYSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 cyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane?
The IUPAC name of cyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane (CID 57050496) is cyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane.
What is the SMILES notation for cyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane?
The canonical SMILES for cyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane is FCCCCOP(CCCCF)OC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane?
The InChIKey is ZIMWYRVUWMPSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2O2P/c15-10-4-6-12-17-19(13-7-5-11-16)18-14-8-2-1-3-9-14/h2,8,14H,1,3-7,9-13H2.
What are the key properties of cyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane?
cyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane has a molecular weight of 294.32 g/mol, XLogP of 4.94, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane is sourced from PubChem (CID 57050496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).