dicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane

C23H38F2P2 — CID 176538802

IUPACdicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane
SMILESCC(PCC(F)CCF)C1C=CC=C1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H38F2P2/c1-18(26-17-19(25)15-16-24)22-13-8-14-23(22)27(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h8,13-14,18-22,26H,2-7,9-12,15-17H2,1H3
InChIKeyBTNXGBDABBODKJ-UHFFFAOYSA-N
MW414.50 g/mol
LogP7.97
Rot. Bonds9

About dicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane

dicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane (PubChem CID 176538802) has the molecular formula C23H38F2P2 and a molecular weight of 414.50 g/mol. Its IUPAC name is dicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane
PubChem CID176538802
Molecular FormulaC23H38F2P2
Molecular Weight414.50 g/mol
Exact Mass414.24
IUPAC Namedicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane
SMILESCC(PCC(F)CCF)C1C=CC=C1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H38F2P2/c1-18(26-17-19(25)15-16-24)22-13-8-14-23(22)27(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h8,13-14,18-22,26H,2-7,9-12,15-17H2,1H3
InChIKeyBTNXGBDABBODKJ-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 57.97
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 dicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane?
The IUPAC name of dicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane (CID 176538802) is dicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane?
The canonical SMILES for dicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane is CC(PCC(F)CCF)C1C=CC=C1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane?
The InChIKey is BTNXGBDABBODKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38F2P2/c1-18(26-17-19(25)15-16-24)22-13-8-14-23(22)27(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h8,13-14,18-22,26H,2-7,9-12,15-17H2,1H3.
What are the key properties of dicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane?
dicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane has a molecular weight of 414.50 g/mol, XLogP of 7.97, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[5-[1-(2,4-difluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane is sourced from PubChem (CID 176538802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).