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

C9H15F3O2P+ — CID 66796597

IUPAChydroxy-oxo-[[1-(2,2,2-trifluoroethyl)cyclohexyl]methyl]phosphanium
SMILESO=[P+](O)CC1(CC(F)(F)F)CCCCC1
InChIInChI=1S/C9H14F3O2P/c10-9(11,12)6-8(7-15(13)14)4-2-1-3-5-8/h1-7H2/p+1
InChIKeyIPDAODLBFGPNAX-UHFFFAOYSA-O
MW243.18 g/mol
LogP3.62
Rot. Bonds3

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

hydroxy-oxo-[[1-(2,2,2-trifluoroethyl)cyclohexyl]methyl]phosphanium (PubChem CID 66796597) has the molecular formula C9H15F3O2P+ and a molecular weight of 243.18 g/mol. Its IUPAC name is hydroxy-oxo-[[1-(2,2,2-trifluoroethyl)cyclohexyl]methyl]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[[1-(2,2,2-trifluoroethyl)cyclohexyl]methyl]phosphanium
PubChem CID66796597
Molecular FormulaC9H15F3O2P+
Molecular Weight243.18 g/mol
Exact Mass243.08
IUPAC Namehydroxy-oxo-[[1-(2,2,2-trifluoroethyl)cyclohexyl]methyl]phosphanium
SMILESO=[P+](O)CC1(CC(F)(F)F)CCCCC1
InChIInChI=1S/C9H14F3O2P/c10-9(11,12)6-8(7-15(13)14)4-2-1-3-5-8/h1-7H2/p+1
InChIKeyIPDAODLBFGPNAX-UHFFFAOYSA-O
XLogP3.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 53.62
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-(2,2,2-trifluoroethyl)cyclohexyl]methyl]phosphanium?
The IUPAC name of hydroxy-oxo-[[1-(2,2,2-trifluoroethyl)cyclohexyl]methyl]phosphanium (CID 66796597) is hydroxy-oxo-[[1-(2,2,2-trifluoroethyl)cyclohexyl]methyl]phosphanium.
What is the SMILES notation for hydroxy-oxo-[[1-(2,2,2-trifluoroethyl)cyclohexyl]methyl]phosphanium?
The canonical SMILES for hydroxy-oxo-[[1-(2,2,2-trifluoroethyl)cyclohexyl]methyl]phosphanium is O=[P+](O)CC1(CC(F)(F)F)CCCCC1.
What is the InChIKey of hydroxy-oxo-[[1-(2,2,2-trifluoroethyl)cyclohexyl]methyl]phosphanium?
The InChIKey is IPDAODLBFGPNAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14F3O2P/c10-9(11,12)6-8(7-15(13)14)4-2-1-3-5-8/h1-7H2/p+1.
What are the key properties of hydroxy-oxo-[[1-(2,2,2-trifluoroethyl)cyclohexyl]methyl]phosphanium?
hydroxy-oxo-[[1-(2,2,2-trifluoroethyl)cyclohexyl]methyl]phosphanium has a molecular weight of 243.18 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[[1-(2,2,2-trifluoroethyl)cyclohexyl]methyl]phosphanium is sourced from PubChem (CID 66796597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).