cyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate

C10H11F9O3P- — CID 154075463

IUPACcyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate
SMILESO=P([O-])(OC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F9O3P/c11-7(12,9(15,16)17)8(13,14)10(18,19)23(20,21)22-6-4-2-1-3-5-6/h6H,1-5H2,(H,20,21)/p-1
InChIKeyYLXSZRRICCPVBG-UHFFFAOYSA-M
MW381.15 g/mol
LogP4.31
Rot. Bonds5

About cyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate

cyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate (PubChem CID 154075463) has the molecular formula C10H11F9O3P- and a molecular weight of 381.15 g/mol. Its IUPAC name is cyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate.

Molecular Properties

Compound Namecyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate
PubChem CID154075463
Molecular FormulaC10H11F9O3P-
Molecular Weight381.15 g/mol
Exact Mass381.03
IUPAC Namecyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate
SMILESO=P([O-])(OC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F9O3P/c11-7(12,9(15,16)17)8(13,14)10(18,19)23(20,21)22-6-4-2-1-3-5-6/h6H,1-5H2,(H,20,21)/p-1
InChIKeyYLXSZRRICCPVBG-UHFFFAOYSA-M
XLogP4.31
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.15
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(dicyclohexyl phosphate);nickel(2+)
CID 22768614
[methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane
CID 87127848
[cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane
CID 66729721
tricyclooctyl phosphate
CID 22995283
[chloro-[dichloro-[chloro(cyclohexyloxy)phosphoryl]methyl]phosphoryl]oxycyclohexane
CID 87979264
[fluoro(methyl)phosphoryl]oxycyclohexane
CID 14366907
[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane
CID 87128036
[dichloro-[cyclohexyloxy(hydroxy)phosphoryl]methyl]phosphonic acid
CID 54148021
disodium;dioxido-oxo-(1,1,2,2,2-pentafluoroethyl)-λ5-phosphane
CID 121334472
1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane
CID 66735733
tricyclobutyl phosphate
CID 66609052
tetrasodium;dioxido-oxo-(1,1,2,2,2-pentafluoroethyl)-λ5-phosphane;fluoride
CID 172681253

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate?
The IUPAC name of cyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate (CID 154075463) is cyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate.
What is the SMILES notation for cyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate?
The canonical SMILES for cyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate is O=P([O-])(OC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of cyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate?
The InChIKey is YLXSZRRICCPVBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12F9O3P/c11-7(12,9(15,16)17)8(13,14)10(18,19)23(20,21)22-6-4-2-1-3-5-6/h6H,1-5H2,(H,20,21)/p-1.
What are the key properties of cyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate?
cyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate has a molecular weight of 381.15 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinate is sourced from PubChem (CID 154075463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).