1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane

C10H20FO2P — CID 581367

IUPAC1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane
SMILESCCCP(=O)(F)OC1CCCCC1C
InChIInChI=1S/C10H20FO2P/c1-3-8-14(11,12)13-10-7-5-4-6-9(10)2/h9-10H,3-8H2,1-2H3
InChIKeyKVUAQDGYVMXIGT-UHFFFAOYSA-N
MW222.24 g/mol
LogP4.15
Rot. Bonds4

About 1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane

1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane (PubChem CID 581367) has the molecular formula C10H20FO2P and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane.

Molecular Properties

Compound Name1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane
PubChem CID581367
Molecular FormulaC10H20FO2P
Molecular Weight222.24 g/mol
Exact Mass222.12
IUPAC Name1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane
SMILESCCCP(=O)(F)OC1CCCCC1C
InChIInChI=1S/C10H20FO2P/c1-3-8-14(11,12)13-10-7-5-4-6-9(10)2/h9-10H,3-8H2,1-2H3
InChIKeyKVUAQDGYVMXIGT-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 54.15
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-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane?
The IUPAC name of 1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane (CID 581367) is 1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane.
What is the SMILES notation for 1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane?
The canonical SMILES for 1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane is CCCP(=O)(F)OC1CCCCC1C.
What is the InChIKey of 1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane?
The InChIKey is KVUAQDGYVMXIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FO2P/c1-3-8-14(11,12)13-10-7-5-4-6-9(10)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane?
1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane has a molecular weight of 222.24 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane is sourced from PubChem (CID 581367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).