butane;(4-fluorophenyl)methoxy-oxido-oxophosphanium

C11H16FO3P — CID 22676643

IUPACbutane;(4-fluorophenyl)methoxy-oxido-oxophosphanium
SMILESCCCC.O=[P+]([O-])OCc1ccc(F)cc1
InChIInChI=1S/C7H6FO3P.C4H10/c8-7-3-1-6(2-4-7)5-11-12(9)10;1-3-4-2/h1-4H,5H2;3-4H2,1-2H3
InChIKeyYEDMODQRKAKMTQ-UHFFFAOYSA-N
MW246.22 g/mol
LogP3.17
Rot. Bonds4

About butane;(4-fluorophenyl)methoxy-oxido-oxophosphanium

butane;(4-fluorophenyl)methoxy-oxido-oxophosphanium (PubChem CID 22676643) has the molecular formula C11H16FO3P and a molecular weight of 246.22 g/mol. Its IUPAC name is butane;(4-fluorophenyl)methoxy-oxido-oxophosphanium.

Molecular Properties

Compound Namebutane;(4-fluorophenyl)methoxy-oxido-oxophosphanium
PubChem CID22676643
Molecular FormulaC11H16FO3P
Molecular Weight246.22 g/mol
Exact Mass246.08
IUPAC Namebutane;(4-fluorophenyl)methoxy-oxido-oxophosphanium
SMILESCCCC.O=[P+]([O-])OCc1ccc(F)cc1
InChIInChI=1S/C7H6FO3P.C4H10/c8-7-3-1-6(2-4-7)5-11-12(9)10;1-3-4-2/h1-4H,5H2;3-4H2,1-2H3
InChIKeyYEDMODQRKAKMTQ-UHFFFAOYSA-N
XLogP3.17
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butane;oxido-oxo-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methoxy]phosphanium
CID 19890552
(4-bromophenyl)methoxy-hydroxy-oxophosphanium;butane
CID 67541029
1-fluoro-4-propylbenzene
CID 2737505
1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene
CID 135141224
(4-fluorophenyl)methyl acetate
CID 14793785
tris[(4-fluorophenyl)methyl] phosphate
CID 139934024
(4-fluorophenyl)methoxy-trimethylsilane
CID 573272
1-[(4-fluorophenyl)methoxy]hexan-2-one
CID 145231574
2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine
CID 65053286
(4-fluorophenyl)methoxy-methylphosphinic acid
CID 87156273
bis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium
CID 70399051
(4-fluorophenyl)methyl (2R)-2-aminopropanoate
CID 94254370

Frequently Asked Questions

What is the IUPAC name of butane;(4-fluorophenyl)methoxy-oxido-oxophosphanium?
The IUPAC name of butane;(4-fluorophenyl)methoxy-oxido-oxophosphanium (CID 22676643) is butane;(4-fluorophenyl)methoxy-oxido-oxophosphanium.
What is the SMILES notation for butane;(4-fluorophenyl)methoxy-oxido-oxophosphanium?
The canonical SMILES for butane;(4-fluorophenyl)methoxy-oxido-oxophosphanium is CCCC.O=[P+]([O-])OCc1ccc(F)cc1.
What is the InChIKey of butane;(4-fluorophenyl)methoxy-oxido-oxophosphanium?
The InChIKey is YEDMODQRKAKMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FO3P.C4H10/c8-7-3-1-6(2-4-7)5-11-12(9)10;1-3-4-2/h1-4H,5H2;3-4H2,1-2H3.
What are the key properties of butane;(4-fluorophenyl)methoxy-oxido-oxophosphanium?
butane;(4-fluorophenyl)methoxy-oxido-oxophosphanium has a molecular weight of 246.22 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(4-fluorophenyl)methoxy-oxido-oxophosphanium is sourced from PubChem (CID 22676643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).