difluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite

C24H25F4N2O8P — CID 144900153

IUPACdifluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite
SMILESCOc1ccc(OP(OCC2OC(n3cc(F)c(=O)[nH]c3=O)CC2F)Oc2ccc(OC)cc2)cc1.FCF
InChIInChI=1S/C23H23F2N2O8P.CH2F2/c1-30-14-3-7-16(8-4-14)34-36(35-17-9-5-15(31-2)6-10-17)32-13-20-18(24)11-21(33-20)27-12-19(25)22(28)26-23(27)29;2-1-3/h3-10,12,18,20-21H,11,13H2,1-2H3,(H,26,28,29);1H2
InChIKeyZOOWCPQLGJCXLP-UHFFFAOYSA-N
MW576.44 g/mol
LogP4.60
Rot. Bonds10

About difluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite

difluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite (PubChem CID 144900153) has the molecular formula C24H25F4N2O8P and a molecular weight of 576.44 g/mol. Its IUPAC name is difluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite.

Molecular Properties

Compound Namedifluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite
PubChem CID144900153
Molecular FormulaC24H25F4N2O8P
Molecular Weight576.44 g/mol
Exact Mass576.13
IUPAC Namedifluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite
SMILESCOc1ccc(OP(OCC2OC(n3cc(F)c(=O)[nH]c3=O)CC2F)Oc2ccc(OC)cc2)cc1.FCF
InChIInChI=1S/C23H23F2N2O8P.CH2F2/c1-30-14-3-7-16(8-4-14)34-36(35-17-9-5-15(31-2)6-10-17)32-13-20-18(24)11-21(33-20)27-12-19(25)22(28)26-23(27)29;2-1-3/h3-10,12,18,20-21H,11,13H2,1-2H3,(H,26,28,29);1H2
InChIKeyZOOWCPQLGJCXLP-UHFFFAOYSA-N
XLogP4.60
TPSA110.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 10833622
5-fluoro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 139053601
5-fluoro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14541189
[5-(5-chloro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite;difluoromethane
CID 144900568
1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 172642391
5-fluoro-1-[(2R,4S,5R)-4-[(4-methoxyphenyl)methoxy]-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10722410
[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]-methoxyborinic acid
CID 71494515
[(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 57496821
[3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl methanesulfonate
CID 14828088
[(2R,3S,5R)-3-fluoro-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 18648376
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]methyl acetate
CID 123750078
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphinic acid
CID 59567442

Frequently Asked Questions

What is the IUPAC name of difluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite?
The IUPAC name of difluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite (CID 144900153) is difluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite.
What is the SMILES notation for difluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite?
The canonical SMILES for difluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite is COc1ccc(OP(OCC2OC(n3cc(F)c(=O)[nH]c3=O)CC2F)Oc2ccc(OC)cc2)cc1.FCF.
What is the InChIKey of difluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite?
The InChIKey is ZOOWCPQLGJCXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N2O8P.CH2F2/c1-30-14-3-7-16(8-4-14)34-36(35-17-9-5-15(31-2)6-10-17)32-13-20-18(24)11-21(33-20)27-12-19(25)22(28)26-23(27)29;2-1-3/h3-10,12,18,20-21H,11,13H2,1-2H3,(H,26,28,29);1H2.
What are the key properties of difluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite?
difluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite has a molecular weight of 576.44 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite is sourced from PubChem (CID 144900153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).