1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane

C10H14F7O3P — CID 87127854

IUPAC1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane
SMILESO=P(OCC(F)(F)F)(OCC(F)(F)F)C1CCCCC1F
InChIInChI=1S/C10H14F7O3P/c11-7-3-1-2-4-8(7)21(18,19-5-9(12,13)14)20-6-10(15,16)17/h7-8H,1-6H2
InChIKeyMMFCUZFPCPQHMW-UHFFFAOYSA-N
MW346.18 g/mol
LogP4.62
Rot. Bonds5

About 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane

1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane (PubChem CID 87127854) has the molecular formula C10H14F7O3P and a molecular weight of 346.18 g/mol. Its IUPAC name is 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane.

Molecular Properties

Compound Name1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane
PubChem CID87127854
Molecular FormulaC10H14F7O3P
Molecular Weight346.18 g/mol
Exact Mass346.06
IUPAC Name1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane
SMILESO=P(OCC(F)(F)F)(OCC(F)(F)F)C1CCCCC1F
InChIInChI=1S/C10H14F7O3P/c11-7-3-1-2-4-8(7)21(18,19-5-9(12,13)14)20-6-10(15,16)17/h7-8H,1-6H2
InChIKeyMMFCUZFPCPQHMW-UHFFFAOYSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 54.62
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-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane?
The IUPAC name of 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane (CID 87127854) is 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane.
What is the SMILES notation for 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane?
The canonical SMILES for 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane is O=P(OCC(F)(F)F)(OCC(F)(F)F)C1CCCCC1F.
What is the InChIKey of 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane?
The InChIKey is MMFCUZFPCPQHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F7O3P/c11-7-3-1-2-4-8(7)21(18,19-5-9(12,13)14)20-6-10(15,16)17/h7-8H,1-6H2.
What are the key properties of 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane?
1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane has a molecular weight of 346.18 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluorocyclohexane is sourced from PubChem (CID 87127854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).