ethyl-(4-fluorocyclohexyl)-methylphosphane

C9H18FP — CID 66729765

IUPACethyl-(4-fluorocyclohexyl)-methylphosphane
SMILESCCP(C)C1CCC(F)CC1
InChIInChI=1S/C9H18FP/c1-3-11(2)9-6-4-8(10)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyCCOGBBHDZIVUKD-UHFFFAOYSA-N
MW176.22 g/mol
LogP3.40
Rot. Bonds2

About ethyl-(4-fluorocyclohexyl)-methylphosphane

ethyl-(4-fluorocyclohexyl)-methylphosphane (PubChem CID 66729765) has the molecular formula C9H18FP and a molecular weight of 176.22 g/mol. Its IUPAC name is ethyl-(4-fluorocyclohexyl)-methylphosphane.

Molecular Properties

Compound Nameethyl-(4-fluorocyclohexyl)-methylphosphane
PubChem CID66729765
Molecular FormulaC9H18FP
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Nameethyl-(4-fluorocyclohexyl)-methylphosphane
SMILESCCP(C)C1CCC(F)CC1
InChIInChI=1S/C9H18FP/c1-3-11(2)9-6-4-8(10)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyCCOGBBHDZIVUKD-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-(4-fluorocyclohexyl)-methylphosphane?
The IUPAC name of ethyl-(4-fluorocyclohexyl)-methylphosphane (CID 66729765) is ethyl-(4-fluorocyclohexyl)-methylphosphane.
What is the SMILES notation for ethyl-(4-fluorocyclohexyl)-methylphosphane?
The canonical SMILES for ethyl-(4-fluorocyclohexyl)-methylphosphane is CCP(C)C1CCC(F)CC1.
What is the InChIKey of ethyl-(4-fluorocyclohexyl)-methylphosphane?
The InChIKey is CCOGBBHDZIVUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FP/c1-3-11(2)9-6-4-8(10)5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl-(4-fluorocyclohexyl)-methylphosphane?
ethyl-(4-fluorocyclohexyl)-methylphosphane has a molecular weight of 176.22 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4-fluorocyclohexyl)-methylphosphane is sourced from PubChem (CID 66729765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).