3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine

C10H13F2NOP+ — CID 154930710

IUPAC3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine
SMILESCOc1cc(F)[p+](C2CCNC2)c(F)c1
InChIInChI=1S/C10H13F2NOP/c1-14-7-4-9(11)15(10(12)5-7)8-2-3-13-6-8/h4-5,8,13H,2-3,6H2,1H3/q+1
InChIKeyMQUXBXPCCXHMOY-UHFFFAOYSA-N
MW232.19 g/mol
LogP2.78
Rot. Bonds2

About 3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine

3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine (PubChem CID 154930710) has the molecular formula C10H13F2NOP+ and a molecular weight of 232.19 g/mol. Its IUPAC name is 3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine.

Molecular Properties

Compound Name3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine
PubChem CID154930710
Molecular FormulaC10H13F2NOP+
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine
SMILESCOc1cc(F)[p+](C2CCNC2)c(F)c1
InChIInChI=1S/C10H13F2NOP/c1-14-7-4-9(11)15(10(12)5-7)8-2-3-13-6-8/h4-5,8,13H,2-3,6H2,1H3/q+1
InChIKeyMQUXBXPCCXHMOY-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84780627
N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine
CID 115118637
N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane
CID 176696090
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226
3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967317
3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 114262773
3-(4-fluorophenyl)-4-(4-methoxyphenyl)piperidine
CID 79433103
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805831
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine?
The IUPAC name of 3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine (CID 154930710) is 3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine.
What is the SMILES notation for 3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine?
The canonical SMILES for 3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine is COc1cc(F)[p+](C2CCNC2)c(F)c1.
What is the InChIKey of 3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine?
The InChIKey is MQUXBXPCCXHMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NOP/c1-14-7-4-9(11)15(10(12)5-7)8-2-3-13-6-8/h4-5,8,13H,2-3,6H2,1H3/q+1.
What are the key properties of 3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine?
3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine has a molecular weight of 232.19 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-4-methoxyphosphinin-1-ium-1-yl)pyrrolidine is sourced from PubChem (CID 154930710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).