[(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane

C21H22FP — CID 143647444

IUPAC[(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane
SMILESC=C1/C(=C\CP(c2ccccc2)c2ccccc2)CCCC1F
InChIInChI=1S/C21H22FP/c1-17-18(9-8-14-21(17)22)15-16-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,15,21H,1,8-9,14,16H2/b18-15-
InChIKeyFSCDGGGENWCMKU-SDXDJHTJSA-N
MW324.38 g/mol
LogP5.12
Rot. Bonds4

About [(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane

[(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane (PubChem CID 143647444) has the molecular formula C21H22FP and a molecular weight of 324.38 g/mol. Its IUPAC name is [(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane.

Molecular Properties

Compound Name[(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane
PubChem CID143647444
Molecular FormulaC21H22FP
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name[(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane
SMILESC=C1/C(=C\CP(c2ccccc2)c2ccccc2)CCCC1F
InChIInChI=1S/C21H22FP/c1-17-18(9-8-14-21(17)22)15-16-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,15,21H,1,8-9,14,16H2/b18-15-
InChIKeyFSCDGGGENWCMKU-SDXDJHTJSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.12
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 [(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane?
The IUPAC name of [(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane (CID 143647444) is [(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane.
What is the SMILES notation for [(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane?
The canonical SMILES for [(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane is C=C1/C(=C\CP(c2ccccc2)c2ccccc2)CCCC1F.
What is the InChIKey of [(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane?
The InChIKey is FSCDGGGENWCMKU-SDXDJHTJSA-N. The full InChI is InChI=1S/C21H22FP/c1-17-18(9-8-14-21(17)22)15-16-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,15,21H,1,8-9,14,16H2/b18-15-.
What are the key properties of [(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane?
[(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane has a molecular weight of 324.38 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethyl]-diphenylphosphane is sourced from PubChem (CID 143647444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).