[4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol

C9H15F2NO — CID 170772085

IUPAC[4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol
SMILESCCC1(CO)CC(=C(F)F)CN1C
InChIInChI=1S/C9H15F2NO/c1-3-9(6-13)4-7(8(10)11)5-12(9)2/h13H,3-6H2,1-2H3
InChIKeyISGJUNVYJVASIE-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.61
Rot. Bonds2

About [4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol

[4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol (PubChem CID 170772085) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is [4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol
PubChem CID170772085
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name[4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol
SMILESCCC1(CO)CC(=C(F)F)CN1C
InChIInChI=1S/C9H15F2NO/c1-3-9(6-13)4-7(8(10)11)5-12(9)2/h13H,3-6H2,1-2H3
InChIKeyISGJUNVYJVASIE-UHFFFAOYSA-N
XLogP1.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
CID 123449239
[(8R)-6-(difluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875941
[(8S)-6-(difluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875966
[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164922426
(2-(Difluoromethylene)-6-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 166095840
(2-(Difluoromethylene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 166095926
(1,2-Diethyl-4,4-difluoropyrrolidin-2-yl)methanol
CID 166534101
(1-(Difluoromethylene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 167494876
(2,2-Difluoro-6-methylenetetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 167494913
[2-(2,2-Difluoroethyl)-1-methylpyrrolidin-2-yl]methanol
CID 170357127
Ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
CID 170771705
[(8R)-7-(difluoromethylidene)-2,3,5,6-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 171099853

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol (CID 170772085) is [4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol is CCC1(CO)CC(=C(F)F)CN1C.
What is the InChIKey of [4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is ISGJUNVYJVASIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-3-9(6-13)4-7(8(10)11)5-12(9)2/h13H,3-6H2,1-2H3.
What are the key properties of [4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol?
[4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 191.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 170772085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).