1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane

C18H32FO2P — CID 66735733

IUPAC1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane
SMILESO=P(OC1CCCCC1)(C1CCCCC1)C1CCCCC1F
InChIInChI=1S/C18H32FO2P/c19-17-13-7-8-14-18(17)22(20,16-11-5-2-6-12-16)21-15-9-3-1-4-10-15/h15-18H,1-14H2
InChIKeyMLJBPQGIURYSFL-UHFFFAOYSA-N
MW330.42 g/mol
LogP6.23
Rot. Bonds4

About 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane

1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane (PubChem CID 66735733) has the molecular formula C18H32FO2P and a molecular weight of 330.42 g/mol. Its IUPAC name is 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane.

Molecular Properties

Compound Name1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane
PubChem CID66735733
Molecular FormulaC18H32FO2P
Molecular Weight330.42 g/mol
Exact Mass330.21
IUPAC Name1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane
SMILESO=P(OC1CCCCC1)(C1CCCCC1)C1CCCCC1F
InChIInChI=1S/C18H32FO2P/c19-17-13-7-8-14-18(17)22(20,16-11-5-2-6-12-16)21-15-9-3-1-4-10-15/h15-18H,1-14H2
InChIKeyMLJBPQGIURYSFL-UHFFFAOYSA-N
XLogP6.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.42
LogP ≤ 56.23
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

tricyclooctyl phosphate
CID 22995283
[fluoro(methyl)phosphoryl]oxycyclohexane
CID 14366907
dicyclohexyl ethenyl phosphate
CID 152633991
tricyclobutyl phosphate
CID 66609052
[cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane
CID 66729721
bis(dicyclohexyl phosphate);nickel(2+)
CID 22768614
[fluoro(methyl)phosphoryl]oxycyclopentane;propane
CID 91381974
cyclopentyl fluoro methyl phosphate
CID 66729749
cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine
CID 174717121
1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane
CID 87127854
dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 175086196
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane?
The IUPAC name of 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane (CID 66735733) is 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane.
What is the SMILES notation for 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane?
The canonical SMILES for 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane is O=P(OC1CCCCC1)(C1CCCCC1)C1CCCCC1F.
What is the InChIKey of 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane?
The InChIKey is MLJBPQGIURYSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32FO2P/c19-17-13-7-8-14-18(17)22(20,16-11-5-2-6-12-16)21-15-9-3-1-4-10-15/h15-18H,1-14H2.
What are the key properties of 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane?
1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane has a molecular weight of 330.42 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(cyclohexyloxy)phosphoryl]-2-fluorocyclohexane is sourced from PubChem (CID 66735733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).