dicyclohexyl-[5-[1-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane

C23H39FP2 — CID 87309177

IUPACdicyclohexyl-[5-[1-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane
SMILESCCCC(F)PC(C)C1C=CC=C1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H39FP2/c1-3-11-23(24)25-18(2)21-16-10-17-22(21)26(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h10,16-21,23,25H,3-9,11-15H2,1-2H3
InChIKeyBCPMOKDMQYNBSM-UHFFFAOYSA-N
MW396.51 g/mol
LogP8.37
Rot. Bonds8

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

dicyclohexyl-[5-[1-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane (PubChem CID 87309177) has the molecular formula C23H39FP2 and a molecular weight of 396.51 g/mol. Its IUPAC name is dicyclohexyl-[5-[1-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[5-[1-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane
PubChem CID87309177
Molecular FormulaC23H39FP2
Molecular Weight396.51 g/mol
Exact Mass396.25
IUPAC Namedicyclohexyl-[5-[1-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane
SMILESCCCC(F)PC(C)C1C=CC=C1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H39FP2/c1-3-11-23(24)25-18(2)21-16-10-17-22(21)26(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h10,16-21,23,25H,3-9,11-15H2,1-2H3
InChIKeyBCPMOKDMQYNBSM-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 58.37
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-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane?
The IUPAC name of dicyclohexyl-[5-[1-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane (CID 87309177) is dicyclohexyl-[5-[1-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[5-[1-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane?
The canonical SMILES for dicyclohexyl-[5-[1-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane is CCCC(F)PC(C)C1C=CC=C1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[5-[1-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane?
The InChIKey is BCPMOKDMQYNBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39FP2/c1-3-11-23(24)25-18(2)21-16-10-17-22(21)26(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h10,16-21,23,25H,3-9,11-15H2,1-2H3.
What are the key properties of dicyclohexyl-[5-[1-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane?
dicyclohexyl-[5-[1-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane has a molecular weight of 396.51 g/mol, XLogP of 8.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[5-[1-(1-fluorobutylphosphanyl)ethyl]cyclopenta-1,3-dien-1-yl]phosphane is sourced from PubChem (CID 87309177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).