[2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane

C10H16F3O3P-2 — CID 154078614

IUPAC[2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane
SMILESCCC1CCCCC1(CC(F)(F)F)P(=O)([O-])[O-]
InChIInChI=1S/C10H18F3O3P/c1-2-8-5-3-4-6-9(8,17(14,15)16)7-10(11,12)13/h8H,2-7H2,1H3,(H2,14,15,16)/p-2
InChIKeyYHNVZHSAVTWNTB-UHFFFAOYSA-L
MW272.20 g/mol
LogP2.19
Rot. Bonds3

About [2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane

[2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane (PubChem CID 154078614) has the molecular formula C10H16F3O3P-2 and a molecular weight of 272.20 g/mol. Its IUPAC name is [2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Name[2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane
PubChem CID154078614
Molecular FormulaC10H16F3O3P-2
Molecular Weight272.20 g/mol
Exact Mass272.08
IUPAC Name[2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane
SMILESCCC1CCCCC1(CC(F)(F)F)P(=O)([O-])[O-]
InChIInChI=1S/C10H18F3O3P/c1-2-8-5-3-4-6-9(8,17(14,15)16)7-10(11,12)13/h8H,2-7H2,1H3,(H2,14,15,16)/p-2
InChIKeyYHNVZHSAVTWNTB-UHFFFAOYSA-L
XLogP2.19
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid
CID 87155145
[2-ethyl-2,3-bis(2,2,2-trifluoroethyl)piperidin-1-yl]phosphonic acid
CID 140667519
(1,2-diethylcyclohexyl) dihydrogen phosphate
CID 67296189
bis(1,2-diethylcyclohexyl) hydrogen phosphate
CID 67296328
1,2-diethylcyclohexane-1-carbaldehyde
CID 138734421
[ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
CID 66729730
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413
1,1,2,2,3-pentaethylcyclohexane
CID 54223237
2-ethyl-1-sulfanylcyclohexan-1-ol
CID 20564659
3-methyl-1-(2,2,2-trifluoroethyl)cyclohexane-1-carbaldehyde
CID 131142601
10-ethylspiro[4.5]dec-3-ene
CID 54060600
1,2-diethylcyclododecane-1-carbaldehyde
CID 138734450

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane?
The IUPAC name of [2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane (CID 154078614) is [2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for [2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane?
The canonical SMILES for [2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane is CCC1CCCCC1(CC(F)(F)F)P(=O)([O-])[O-].
What is the InChIKey of [2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane?
The InChIKey is YHNVZHSAVTWNTB-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H18F3O3P/c1-2-8-5-3-4-6-9(8,17(14,15)16)7-10(11,12)13/h8H,2-7H2,1H3,(H2,14,15,16)/p-2.
What are the key properties of [2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane?
[2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane has a molecular weight of 272.20 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 154078614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).