1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane

C9H18FO2P — CID 574821

IUPAC1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane
SMILESCCP(=O)(F)OC1CCC(C)CC1
InChIInChI=1S/C9H18FO2P/c1-3-13(10,11)12-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyZZRRPPUWDQHJBC-UHFFFAOYSA-N
MW208.21 g/mol
LogP3.76
Rot. Bonds3

About 1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane

1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane (PubChem CID 574821) has the molecular formula C9H18FO2P and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane.

Molecular Properties

Compound Name1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane
PubChem CID574821
Molecular FormulaC9H18FO2P
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane
SMILESCCP(=O)(F)OC1CCC(C)CC1
InChIInChI=1S/C9H18FO2P/c1-3-13(10,11)12-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyZZRRPPUWDQHJBC-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane?
The IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane (CID 574821) is 1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane.
What is the SMILES notation for 1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane?
The canonical SMILES for 1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane is CCP(=O)(F)OC1CCC(C)CC1.
What is the InChIKey of 1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane?
The InChIKey is ZZRRPPUWDQHJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FO2P/c1-3-13(10,11)12-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane?
1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane has a molecular weight of 208.21 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(fluoro)phosphoryl]oxy-4-methylcyclohexane is sourced from PubChem (CID 574821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).