[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol

C11H19F2NO — CID 164922426

IUPAC[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
SMILESCCCC1(CO)C/C(=C/C(F)F)CN1C
InChIInChI=1S/C11H19F2NO/c1-3-4-11(8-15)6-9(5-10(12)13)7-14(11)2/h5,10,15H,3-4,6-8H2,1-2H3/b9-5-
InChIKeySFBGAINXBZOEAH-UITAMQMPSA-N
MW219.27 g/mol
LogP2.04
Rot. Bonds4

About [(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol

[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol (PubChem CID 164922426) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is [(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
PubChem CID164922426
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
SMILESCCCC1(CO)C/C(=C/C(F)F)CN1C
InChIInChI=1S/C11H19F2NO/c1-3-4-11(8-15)6-9(5-10(12)13)7-14(11)2/h5,10,15H,3-4,6-8H2,1-2H3/b9-5-
InChIKeySFBGAINXBZOEAH-UITAMQMPSA-N
XLogP2.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-(2,2-difluoroethylidene)-2-(ethoxymethyl)-1-methyl-2-propylpyrrolidine
CID 164922134
(2-(2,2-Difluoroethylidene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 164922515
[(2R,6E,8R)-6-ethylidene-2-fluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 169560137
[(6E)-6-ethylidene-2-fluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 169560138
[6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 170565022
[(2R,8R)-6-ethylidene-2-fluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 171614098
[(2R,8R)-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol
CID 172287953
[4-(Difluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 176294879
[4-(Difluoromethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 176919552
[(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol
CID 176919665
(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
CID 164922210
[4-(Difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol
CID 170772085

Frequently Asked Questions

What is the IUPAC name of [(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol?
The IUPAC name of [(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol (CID 164922426) is [(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol is CCCC1(CO)C/C(=C/C(F)F)CN1C.
What is the InChIKey of [(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol?
The InChIKey is SFBGAINXBZOEAH-UITAMQMPSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-3-4-11(8-15)6-9(5-10(12)13)7-14(11)2/h5,10,15H,3-4,6-8H2,1-2H3/b9-5-.
What are the key properties of [(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol?
[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol has a molecular weight of 219.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 164922426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).