[5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane

C30H20F6O2P2 — CID 144975610

IUPAC[5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane
SMILESC=CCOc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(P)c4)c(P)c3)c(F)c2)cc1
InChIInChI=1S/C30H20F6O2P2/c1-2-11-37-20-8-5-17(6-9-20)3-4-18-7-10-22(23(31)12-18)19-13-24(32)28(26(39)14-19)30(35,36)38-21-15-25(33)29(34)27(40)16-21/h2,5-10,12-16H,1,11,39-40H2
InChIKeyBROGFMBXUWCLGP-UHFFFAOYSA-N
MW588.42 g/mol
LogP7.00
Rot. Bonds7

About [5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane

[5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane (PubChem CID 144975610) has the molecular formula C30H20F6O2P2 and a molecular weight of 588.42 g/mol. Its IUPAC name is [5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane.

Molecular Properties

Compound Name[5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane
PubChem CID144975610
Molecular FormulaC30H20F6O2P2
Molecular Weight588.42 g/mol
Exact Mass588.08
IUPAC Name[5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane
SMILESC=CCOc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(P)c4)c(P)c3)c(F)c2)cc1
InChIInChI=1S/C30H20F6O2P2/c1-2-11-37-20-8-5-17(6-9-20)3-4-18-7-10-22(23(31)12-18)19-13-24(32)28(26(39)14-19)30(35,36)38-21-15-25(33)29(34)27(40)16-21/h2,5-10,12-16H,1,11,39-40H2
InChIKeyBROGFMBXUWCLGP-UHFFFAOYSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.42
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane 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-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-[4-(4-prop-2-enoxyphenyl)phenyl]ethynyl]benzene
CID 129037412
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-1,3-difluoro-5-[2-(4-prop-2-enoxyphenyl)ethynyl]benzene
CID 129037360
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-[2-fluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]ethynyl]benzene
CID 129036251
5-[difluoro-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene
CID 129036686
[2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]phosphane
CID 134374990
5-[difluoro-[2-fluoro-4-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]phenyl]methoxy]-1,2,3-trifluorobenzene
CID 129036243
5-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-fluorophenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 129037337
5-[2-(4-butylphenyl)ethynyl]-2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluorobenzene
CID 129037017
2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-[2-(4-pentylphenyl)ethynyl]benzene
CID 129037014
5-[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 129037388
2-[[4-[2-[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenyl]ethynyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-prop-2-enoxybenzene
CID 129036450
2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-1,3-difluoro-5-pentylbenzene
CID 129036625

Frequently Asked Questions

What is the IUPAC name of [5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane?
The IUPAC name of [5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane (CID 144975610) is [5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane.
What is the SMILES notation for [5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane?
The canonical SMILES for [5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane is C=CCOc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(P)c4)c(P)c3)c(F)c2)cc1.
What is the InChIKey of [5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane?
The InChIKey is BROGFMBXUWCLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F6O2P2/c1-2-11-37-20-8-5-17(6-9-20)3-4-18-7-10-22(23(31)12-18)19-13-24(32)28(26(39)14-19)30(35,36)38-21-15-25(33)29(34)27(40)16-21/h2,5-10,12-16H,1,11,39-40H2.
What are the key properties of [5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane?
[5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane has a molecular weight of 588.42 g/mol, XLogP of 7.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[difluoro-[2-fluoro-4-[2-fluoro-4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane is sourced from PubChem (CID 144975610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).