4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine

C9H15F2NO — CID 176926643

IUPAC4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
SMILESC=C(C)OCC1CC(F)(F)CN1C
InChIInChI=1S/C9H15F2NO/c1-7(2)13-5-8-4-9(10,11)6-12(8)3/h8H,1,4-6H2,2-3H3
InChIKeyRJUJNUINJZMYSY-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.88
Rot. Bonds3

About 4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine

4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine (PubChem CID 176926643) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
PubChem CID176926643
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
SMILESC=C(C)OCC1CC(F)(F)CN1C
InChIInChI=1S/C9H15F2NO/c1-7(2)13-5-8-4-9(10,11)6-12(8)3/h8H,1,4-6H2,2-3H3
InChIKeyRJUJNUINJZMYSY-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine
CID 129297596
2-(Difluoromethoxymethyl)-1-ethylpyrrolidine
CID 130225831
(2R)-1-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 140929377
(2R)-1-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 140929469
(2R)-4,4-difluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 141637856
(2S)-4,4-difluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 141637993
(2S)-1-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 146652770
1-(2,2-Difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 146652775
(2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine
CID 146652796
1-(2,2-Difluoroethyl)-2-(methoxymethyl)pyrrolidine
CID 148811914
(2S)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine
CID 148811915
1-(2,2-Difluoroethyl)-2-(propoxymethyl)pyrrolidine
CID 153584693

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
The IUPAC name of 4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine (CID 176926643) is 4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine is C=C(C)OCC1CC(F)(F)CN1C.
What is the InChIKey of 4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
The InChIKey is RJUJNUINJZMYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-7(2)13-5-8-4-9(10,11)6-12(8)3/h8H,1,4-6H2,2-3H3.
What are the key properties of 4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine has a molecular weight of 191.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 176926643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).