(4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane

C6H12F2NOP — CID 164904665

IUPAC(4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane
SMILESCN1CC(F)(F)CC1COP
InChIInChI=1S/C6H12F2NOP/c1-9-4-6(7,8)2-5(9)3-10-11/h5H,2-4,11H2,1H3
InChIKeySCOKFHXUUZEVLI-UHFFFAOYSA-N
MW183.14 g/mol
LogP1.13
Rot. Bonds2

About (4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane

(4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane (PubChem CID 164904665) has the molecular formula C6H12F2NOP and a molecular weight of 183.14 g/mol. Its IUPAC name is (4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane.

Molecular Properties

Compound Name(4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane
PubChem CID164904665
Molecular FormulaC6H12F2NOP
Molecular Weight183.14 g/mol
Exact Mass183.06
IUPAC Name(4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane
SMILESCN1CC(F)(F)CC1COP
InChIInChI=1S/C6H12F2NOP/c1-9-4-6(7,8)2-5(9)3-10-11/h5H,2-4,11H2,1H3
InChIKeySCOKFHXUUZEVLI-UHFFFAOYSA-N
XLogP1.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane
CID 176568094
(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol;tungsten
CID 170766869
2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 121204099
2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine
CID 121204146
4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine
CID 176557306
(5,5-difluoro-1-methylpiperidin-2-yl)methanamine
CID 55296928
2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 121204065
[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methanol
CID 146250684
N-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide
CID 174875699
2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 121204115
1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 147076228
(2S)-4-fluoro-1,2,4-trimethylpyrrolidine
CID 90327705

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane?
The IUPAC name of (4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane (CID 164904665) is (4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane.
What is the SMILES notation for (4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane?
The canonical SMILES for (4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane is CN1CC(F)(F)CC1COP.
What is the InChIKey of (4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane?
The InChIKey is SCOKFHXUUZEVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2NOP/c1-9-4-6(7,8)2-5(9)3-10-11/h5H,2-4,11H2,1H3.
What are the key properties of (4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane?
(4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane has a molecular weight of 183.14 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane is sourced from PubChem (CID 164904665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).