dicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane

C17H22F3OP — CID 118057535

IUPACdicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane
SMILESFC(F)(F)Oc1ccccc1P(C1CCCC1)C1CCCC1
InChIInChI=1S/C17H22F3OP/c18-17(19,20)21-15-11-5-6-12-16(15)22(13-7-1-2-8-13)14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2
InChIKeyUEJYRHMSLLWLEX-UHFFFAOYSA-N
MW330.33 g/mol
LogP5.58
Rot. Bonds4

About dicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane

dicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane (PubChem CID 118057535) has the molecular formula C17H22F3OP and a molecular weight of 330.33 g/mol. Its IUPAC name is dicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane.

Molecular Properties

Compound Namedicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane
PubChem CID118057535
Molecular FormulaC17H22F3OP
Molecular Weight330.33 g/mol
Exact Mass330.14
IUPAC Namedicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane
SMILESFC(F)(F)Oc1ccccc1P(C1CCCC1)C1CCCC1
InChIInChI=1S/C17H22F3OP/c18-17(19,20)21-15-11-5-6-12-16(15)22(13-7-1-2-8-13)14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2
InChIKeyUEJYRHMSLLWLEX-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.33
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane?
The IUPAC name of dicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane (CID 118057535) is dicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane.
What is the SMILES notation for dicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane?
The canonical SMILES for dicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane is FC(F)(F)Oc1ccccc1P(C1CCCC1)C1CCCC1.
What is the InChIKey of dicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane?
The InChIKey is UEJYRHMSLLWLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3OP/c18-17(19,20)21-15-11-5-6-12-16(15)22(13-7-1-2-8-13)14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2.
What are the key properties of dicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane?
dicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane has a molecular weight of 330.33 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane is sourced from PubChem (CID 118057535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).