4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine

C8H13F2NO — CID 176568485

IUPAC4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOCC1CC(=C(F)F)CN1C
InChIInChI=1S/C8H13F2NO/c1-11-4-6(8(9)10)3-7(11)5-12-2/h7H,3-5H2,1-2H3
InChIKeyPEKPEUNZMQRCTI-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.49
Rot. Bonds2

About 4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine

4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine (PubChem CID 176568485) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
PubChem CID176568485
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOCC1CC(=C(F)F)CN1C
InChIInChI=1S/C8H13F2NO/c1-11-4-6(8(9)10)3-7(11)5-12-2/h7H,3-5H2,1-2H3
InChIKeyPEKPEUNZMQRCTI-UHFFFAOYSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-(difluoromethylidene)-2-(methoxymethyl)pyrrolidine
CID 156243083
(2S)-4,4-difluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine
CID 156243404
(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163575204
(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984384
(2S,4R)-2-(1-methoxyethenyl)-1-methyl-4-(trifluoromethyl)pyrrolidine
CID 167294894
(4Z)-4-(1-fluoroethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 172247047
3-(Difluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 172247096
3-(Difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine
CID 172247237
3-(Difluoromethylidene)-2-(1-ethoxyethyl)-1-methylpyrrolidine
CID 172247290
[(2S)-4-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 176323839
4-(Difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine
CID 176568089
(4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176568175

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of 4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine (CID 176568485) is 4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for 4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for 4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine is COCC1CC(=C(F)F)CN1C.
What is the InChIKey of 4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is PEKPEUNZMQRCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-11-4-6(8(9)10)3-7(11)5-12-2/h7H,3-5H2,1-2H3.
What are the key properties of 4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine?
4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine has a molecular weight of 177.19 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 176568485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).