[fluoro(propyl)phosphoryl]oxymethylcyclohexane

C10H20FO2P — CID 581368

IUPAC[fluoro(propyl)phosphoryl]oxymethylcyclohexane
SMILESCCCP(=O)(F)OCC1CCCCC1
InChIInChI=1S/C10H20FO2P/c1-2-8-14(11,12)13-9-10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyLSVGHMURHYNRLQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP4.16
Rot. Bonds5

About [fluoro(propyl)phosphoryl]oxymethylcyclohexane

[fluoro(propyl)phosphoryl]oxymethylcyclohexane (PubChem CID 581368) has the molecular formula C10H20FO2P and a molecular weight of 222.24 g/mol. Its IUPAC name is [fluoro(propyl)phosphoryl]oxymethylcyclohexane.

Molecular Properties

Compound Name[fluoro(propyl)phosphoryl]oxymethylcyclohexane
PubChem CID581368
Molecular FormulaC10H20FO2P
Molecular Weight222.24 g/mol
Exact Mass222.12
IUPAC Name[fluoro(propyl)phosphoryl]oxymethylcyclohexane
SMILESCCCP(=O)(F)OCC1CCCCC1
InChIInChI=1S/C10H20FO2P/c1-2-8-14(11,12)13-9-10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyLSVGHMURHYNRLQ-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl(cyclopentylmethoxy)phosphinic acid
CID 87155036
cyclohexylmethyl dihydrogen phosphate
CID 14982025
1-[fluoro(propyl)phosphoryl]oxy-2-methylcyclohexane
CID 581367
2-diethoxyphosphorylethoxymethylcyclopentane
CID 174164242
[cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane
CID 123727253
ethoxymethylcyclooctane
CID 70370569
cyclohexylmethoxy(ethyl)silane
CID 172748096
pent-1-enoxymethylcyclodecane
CID 173273161
N-amino-(cyclopentylmethoxy)phosphonamidic acid
CID 174683153
2-[butyl(pentoxy)phosphoryl]oxyethylcyclohexane
CID 91716564
1-(cyclohexylmethoxy)hexane-1-sulfonamide
CID 67179388
2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane
CID 91716669

Frequently Asked Questions

What is the IUPAC name of [fluoro(propyl)phosphoryl]oxymethylcyclohexane?
The IUPAC name of [fluoro(propyl)phosphoryl]oxymethylcyclohexane (CID 581368) is [fluoro(propyl)phosphoryl]oxymethylcyclohexane.
What is the SMILES notation for [fluoro(propyl)phosphoryl]oxymethylcyclohexane?
The canonical SMILES for [fluoro(propyl)phosphoryl]oxymethylcyclohexane is CCCP(=O)(F)OCC1CCCCC1.
What is the InChIKey of [fluoro(propyl)phosphoryl]oxymethylcyclohexane?
The InChIKey is LSVGHMURHYNRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FO2P/c1-2-8-14(11,12)13-9-10-6-4-3-5-7-10/h10H,2-9H2,1H3.
What are the key properties of [fluoro(propyl)phosphoryl]oxymethylcyclohexane?
[fluoro(propyl)phosphoryl]oxymethylcyclohexane has a molecular weight of 222.24 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro(propyl)phosphoryl]oxymethylcyclohexane is sourced from PubChem (CID 581368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).