hydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium

C10H17F3O2P+ — CID 66796519

IUPAChydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium
SMILESCC([P+](=O)O)C1(CC(F)(F)F)CCCCC1
InChIInChI=1S/C10H16F3O2P/c1-8(16(14)15)9(7-10(11,12)13)5-3-2-4-6-9/h8H,2-7H2,1H3/p+1
InChIKeyFVOPAFJYXRXRFK-UHFFFAOYSA-O
MW257.21 g/mol
LogP4.01
Rot. Bonds3

About hydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium

hydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium (PubChem CID 66796519) has the molecular formula C10H17F3O2P+ and a molecular weight of 257.21 g/mol. Its IUPAC name is hydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium
PubChem CID66796519
Molecular FormulaC10H17F3O2P+
Molecular Weight257.21 g/mol
Exact Mass257.09
IUPAC Namehydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium
SMILESCC([P+](=O)O)C1(CC(F)(F)F)CCCCC1
InChIInChI=1S/C10H16F3O2P/c1-8(16(14)15)9(7-10(11,12)13)5-3-2-4-6-9/h8H,2-7H2,1H3/p+1
InChIKeyFVOPAFJYXRXRFK-UHFFFAOYSA-O
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium?
The IUPAC name of hydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium (CID 66796519) is hydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium.
What is the SMILES notation for hydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium?
The canonical SMILES for hydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium is CC([P+](=O)O)C1(CC(F)(F)F)CCCCC1.
What is the InChIKey of hydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium?
The InChIKey is FVOPAFJYXRXRFK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H16F3O2P/c1-8(16(14)15)9(7-10(11,12)13)5-3-2-4-6-9/h8H,2-7H2,1H3/p+1.
What are the key properties of hydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium?
hydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium has a molecular weight of 257.21 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[1-[1-(2,2,2-trifluoroethyl)cyclohexyl]ethyl]phosphanium is sourced from PubChem (CID 66796519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).