1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone

C10H17F2O3P — CID 174867298

IUPAC1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone
SMILESCOP(C)(=O)CC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2O3P/c1-15-16(2,14)7-9(13)8-3-5-10(11,12)6-4-8/h8H,3-7H2,1-2H3
InChIKeyIWTVLMBVXPDVLJ-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.94
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone

1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone (PubChem CID 174867298) has the molecular formula C10H17F2O3P and a molecular weight of 254.21 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone
PubChem CID174867298
Molecular FormulaC10H17F2O3P
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone
SMILESCOP(C)(=O)CC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2O3P/c1-15-16(2,14)7-9(13)8-3-5-10(11,12)6-4-8/h8H,3-7H2,1-2H3
InChIKeyIWTVLMBVXPDVLJ-UHFFFAOYSA-N
XLogP2.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone (CID 174867298) is 1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone is COP(C)(=O)CC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone?
The InChIKey is IWTVLMBVXPDVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2O3P/c1-15-16(2,14)7-9(13)8-3-5-10(11,12)6-4-8/h8H,3-7H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone?
1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone has a molecular weight of 254.21 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone is sourced from PubChem (CID 174867298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).