chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane

C53H48ClF4P3 — CID 159966998

IUPACchloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane
SMILESCC(C)/C(=C/Cc1ccccc1F)P(c1ccccc1)c1ccccc1F.CC(C)C#CP(c1ccccc1)c1ccccc1F.Fc1ccccc1P(Cl)c1ccccc1
InChIInChI=1S/C24H23F2P.C17H16FP.C12H9ClFP/c1-18(2)23(17-16-19-10-6-7-13-21(19)25)27(20-11-4-3-5-12-20)24-15-9-8-14-22(24)26;1-14(2)12-13-19(15-8-4-3-5-9-15)17-11-7-6-10-16(17)18;13-15(10-6-2-1-3-7-10)12-9-5-4-8-11(12)14/h3-15,17-18H,16H2,1-2H3;3-11,14H,1-2H3;1-9H/b23-17-;;
InChIKeyOEBDPEHFJWVMIR-PKJXIURQSA-N
MW889.33 g/mol
LogP13.47
Rot. Bonds10

About chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane

chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane (PubChem CID 159966998) has the molecular formula C53H48ClF4P3 and a molecular weight of 889.33 g/mol. Its IUPAC name is chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane.

Molecular Properties

Compound Namechloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane
PubChem CID159966998
Molecular FormulaC53H48ClF4P3
Molecular Weight889.33 g/mol
Exact Mass888.26
IUPAC Namechloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane
SMILESCC(C)/C(=C/Cc1ccccc1F)P(c1ccccc1)c1ccccc1F.CC(C)C#CP(c1ccccc1)c1ccccc1F.Fc1ccccc1P(Cl)c1ccccc1
InChIInChI=1S/C24H23F2P.C17H16FP.C12H9ClFP/c1-18(2)23(17-16-19-10-6-7-13-21(19)25)27(20-11-4-3-5-12-20)24-15-9-8-14-22(24)26;1-14(2)12-13-19(15-8-4-3-5-9-15)17-11-7-6-10-16(17)18;13-15(10-6-2-1-3-7-10)12-9-5-4-8-11(12)14/h3-15,17-18H,16H2,1-2H3;3-11,14H,1-2H3;1-9H/b23-17-;;
InChIKeyOEBDPEHFJWVMIR-PKJXIURQSA-N
XLogP13.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.33
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane
CID 159966999
3,3-dimethylbut-1-ynyl-(2-fluorophenyl)-phenylphosphane
CID 150051409
[(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane
CID 155476394
1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene
CID 54219204
2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol
CID 42836977
4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60830925
(2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100727038
N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55185523
(Z)-4-[(2-fluorophenyl)methyl-methylamino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54689315
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501
[(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane
CID 11605137
CID 174939744
CID 174939744

Frequently Asked Questions

What is the IUPAC name of chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane?
The IUPAC name of chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane (CID 159966998) is chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane.
What is the SMILES notation for chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane?
The canonical SMILES for chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane is CC(C)/C(=C/Cc1ccccc1F)P(c1ccccc1)c1ccccc1F.CC(C)C#CP(c1ccccc1)c1ccccc1F.Fc1ccccc1P(Cl)c1ccccc1.
What is the InChIKey of chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane?
The InChIKey is OEBDPEHFJWVMIR-PKJXIURQSA-N. The full InChI is InChI=1S/C24H23F2P.C17H16FP.C12H9ClFP/c1-18(2)23(17-16-19-10-6-7-13-21(19)25)27(20-11-4-3-5-12-20)24-15-9-8-14-22(24)26;1-14(2)12-13-19(15-8-4-3-5-9-15)17-11-7-6-10-16(17)18;13-15(10-6-2-1-3-7-10)12-9-5-4-8-11(12)14/h3-15,17-18H,16H2,1-2H3;3-11,14H,1-2H3;1-9H/b23-17-;;.
What are the key properties of chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane?
chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane has a molecular weight of 889.33 g/mol, XLogP of 13.47, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane;(2-fluorophenyl)-(3-methylbut-1-ynyl)-phenylphosphane is sourced from PubChem (CID 159966998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).