[[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate

C12H9F4O6P2- — CID 91930935

IUPAC[[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate
SMILESO=P([O-])(O)C(F)(F)c1ccc2ccc(C(F)(F)P(=O)(O)O)cc2c1
InChIInChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)9-3-1-7-2-4-10(6-8(7)5-9)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)/p-1
InChIKeyVHKBLEYUHBIBNR-UHFFFAOYSA-M
MW387.14 g/mol
LogP2.66
Rot. Bonds4

About [[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate

[[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate (PubChem CID 91930935) has the molecular formula C12H9F4O6P2- and a molecular weight of 387.14 g/mol. Its IUPAC name is [[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate.

Molecular Properties

Compound Name[[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate
PubChem CID91930935
Molecular FormulaC12H9F4O6P2-
Molecular Weight387.14 g/mol
Exact Mass386.98
IUPAC Name[[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate
SMILESO=P([O-])(O)C(F)(F)c1ccc2ccc(C(F)(F)P(=O)(O)O)cc2c1
InChIInChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)9-3-1-7-2-4-10(6-8(7)5-9)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)/p-1
InChIKeyVHKBLEYUHBIBNR-UHFFFAOYSA-M
XLogP2.66
TPSA117.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.14
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[difluoro-(6-formyl-5-hydroxynaphthalen-2-yl)methyl]phosphonic acid
CID 71419605
4-[difluoro(phosphono)methyl]benzoic acid
CID 46878697
[difluoro-[2-(methylcarbamoyl)-1H-indol-5-yl]methyl]phosphonic acid
CID 169170618
[(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid
CID 177375813
tetrasodium;[[4-[[4-[difluoro(phosphono)methyl]phenyl]methylsulfanylmethyl]phenyl]-difluoromethyl]phosphonic acid;hydride
CID 173263067
7-(trifluoromethyl)naphthalene-2-sulfonyl chloride
CID 170898735
[[4-[[[4-[difluoro(phosphono)methyl]phenyl]methyl-[(4-phenylphenyl)methyl]amino]methyl]phenyl]-difluoromethyl]phosphonic acid
CID 11527410
difluoro(naphthalen-2-yl)methanesulfonate
CID 44560743
[difluoro-[4-(2-phenylethylcarbamoyl)phenyl]methyl]phosphonic acid
CID 46878793
3-[[4-[difluoro(phosphono)methyl]phenyl]methoxy]-3-oxopropanoic acid
CID 150506499
2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene
CID 164898429
2-fluoro-2-naphthalen-2-ylpropanamide
CID 91088349

Frequently Asked Questions

What is the IUPAC name of [[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate?
The IUPAC name of [[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate (CID 91930935) is [[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate.
What is the SMILES notation for [[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate?
The canonical SMILES for [[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate is O=P([O-])(O)C(F)(F)c1ccc2ccc(C(F)(F)P(=O)(O)O)cc2c1.
What is the InChIKey of [[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate?
The InChIKey is VHKBLEYUHBIBNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)9-3-1-7-2-4-10(6-8(7)5-9)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)/p-1.
What are the key properties of [[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate?
[[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate has a molecular weight of 387.14 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[7-[difluoro(phosphono)methyl]naphthalen-2-yl]-difluoromethyl]-hydroxyphosphinate is sourced from PubChem (CID 91930935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).