[4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane

C25H14F7OP — CID 129130663

IUPAC[4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane
SMILESFc1cc(-c2ccccc2)ccc1-c1cc(F)c(C(F)(F)Oc2cc(F)c(P)c(F)c2)c(F)c1
InChIInChI=1S/C25H14F7OP/c26-18-8-14(13-4-2-1-3-5-13)6-7-17(18)15-9-19(27)23(20(28)10-15)25(31,32)33-16-11-21(29)24(34)22(30)12-16/h1-12H,34H2
InChIKeyQLYUKDTWASMQIO-UHFFFAOYSA-N
MW494.35 g/mol
LogP7.34
Rot. Bonds5

About [4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane

[4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane (PubChem CID 129130663) has the molecular formula C25H14F7OP and a molecular weight of 494.35 g/mol. Its IUPAC name is [4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane.

Molecular Properties

Compound Name[4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane
PubChem CID129130663
Molecular FormulaC25H14F7OP
Molecular Weight494.35 g/mol
Exact Mass494.07
IUPAC Name[4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane
SMILESFc1cc(-c2ccccc2)ccc1-c1cc(F)c(C(F)(F)Oc2cc(F)c(P)c(F)c2)c(F)c1
InChIInChI=1S/C25H14F7OP/c26-18-8-14(13-4-2-1-3-5-13)6-7-17(18)15-9-19(27)23(20(28)10-15)25(31,32)33-16-11-21(29)24(34)22(30)12-16/h1-12H,34H2
InChIKeyQLYUKDTWASMQIO-UHFFFAOYSA-N
XLogP7.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.35
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene;ethane
CID 144768956
[2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]phosphane
CID 134374990
1-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-3,4,5-trifluoro-2-methylbenzene
CID 134477250
5-(2,4-difluorophenyl)-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 58738363
6-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-iodonaphthalene
CID 138458885
[4-[[2,6-difluoro-4-(4-propylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane
CID 130462382
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 159111708
5-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;methane
CID 159808134
2-[[3,4-difluoro-5-(fluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 134479170
5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-2,3-dihydro-1H-indene
CID 118687154
5-[4-[4-(4-butylphenyl)phenyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 59329730
4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol
CID 134241601

Frequently Asked Questions

What is the IUPAC name of [4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane?
The IUPAC name of [4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane (CID 129130663) is [4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane.
What is the SMILES notation for [4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane?
The canonical SMILES for [4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane is Fc1cc(-c2ccccc2)ccc1-c1cc(F)c(C(F)(F)Oc2cc(F)c(P)c(F)c2)c(F)c1.
What is the InChIKey of [4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane?
The InChIKey is QLYUKDTWASMQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F7OP/c26-18-8-14(13-4-2-1-3-5-13)6-7-17(18)15-9-19(27)23(20(28)10-15)25(31,32)33-16-11-21(29)24(34)22(30)12-16/h1-12H,34H2.
What are the key properties of [4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane?
[4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane has a molecular weight of 494.35 g/mol, XLogP of 7.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane is sourced from PubChem (CID 129130663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).