1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene

C14H22FO4P — CID 11088020

IUPAC1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene
SMILESCOc1cccc(C(F)P(=O)(OC(C)C)OC(C)C)c1
InChIInChI=1S/C14H22FO4P/c1-10(2)18-20(16,19-11(3)4)14(15)12-7-6-8-13(9-12)17-5/h6-11,14H,1-5H3
InChIKeyVVAVZCQMVQGXHG-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.71
Rot. Bonds7

About 1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene

1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene (PubChem CID 11088020) has the molecular formula C14H22FO4P and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene
PubChem CID11088020
Molecular FormulaC14H22FO4P
Molecular Weight304.30 g/mol
Exact Mass304.12
IUPAC Name1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene
SMILESCOc1cccc(C(F)P(=O)(OC(C)C)OC(C)C)c1
InChIInChI=1S/C14H22FO4P/c1-10(2)18-20(16,19-11(3)4)14(15)12-7-6-8-13(9-12)17-5/h6-11,14H,1-5H3
InChIKeyVVAVZCQMVQGXHG-UHFFFAOYSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
3-fluoro-2-(3-methoxyphenyl)butanoic acid
CID 105465777
(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine
CID 171192082
3-fluoro-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 105465807
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
fluoro-(3-methoxyphenyl)methanesulfonyl chloride
CID 84727802
[(1R)-1-(3-methoxyphenyl)ethyl]-trimethylsilane
CID 132551583
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115785901
4-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450757
1-(2-bromo-1-propan-2-yloxyethyl)-3-methoxybenzene
CID 62113687

Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene?
The IUPAC name of 1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene (CID 11088020) is 1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene.
What is the SMILES notation for 1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene?
The canonical SMILES for 1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene is COc1cccc(C(F)P(=O)(OC(C)C)OC(C)C)c1.
What is the InChIKey of 1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene?
The InChIKey is VVAVZCQMVQGXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FO4P/c1-10(2)18-20(16,19-11(3)4)14(15)12-7-6-8-13(9-12)17-5/h6-11,14H,1-5H3.
What are the key properties of 1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene?
1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene has a molecular weight of 304.30 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene is sourced from PubChem (CID 11088020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).