4-(difluoromethylidene)-2,2-diethylpyrrolidine

C9H15F2N — CID 169181315

IUPAC4-(difluoromethylidene)-2,2-diethylpyrrolidine
SMILESCCC1(CC)CC(=C(F)F)CN1
InChIInChI=1S/C9H15F2N/c1-3-9(4-2)5-7(6-12-9)8(10)11/h12H,3-6H2,1-2H3
InChIKeyVGCJXLVTTBAFBN-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.69
Rot. Bonds2

About 4-(difluoromethylidene)-2,2-diethylpyrrolidine

4-(difluoromethylidene)-2,2-diethylpyrrolidine (PubChem CID 169181315) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 4-(difluoromethylidene)-2,2-diethylpyrrolidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-2,2-diethylpyrrolidine
PubChem CID169181315
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name4-(difluoromethylidene)-2,2-diethylpyrrolidine
SMILESCCC1(CC)CC(=C(F)F)CN1
InChIInChI=1S/C9H15F2N/c1-3-9(4-2)5-7(6-12-9)8(10)11/h12H,3-6H2,1-2H3
InChIKeyVGCJXLVTTBAFBN-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 162414798
3-Methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine
CID 68813031
4-(Difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine
CID 126653747
7,7-Difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene
CID 146640283
7,7-Difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 146640284
3,3-Difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine
CID 147394218
(4Z)-2-ethyl-4-(fluoromethylidene)-2-methylpyrrolidine
CID 169184022
2-(3-Chloropropyl)-4-(difluoromethylidene)-2-methylpyrrolidine
CID 172109823
(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine
CID 172288850
4-(Difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine
CID 174214129
(4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine
CID 176954846
(2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine
CID 177213219

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-2,2-diethylpyrrolidine?
The IUPAC name of 4-(difluoromethylidene)-2,2-diethylpyrrolidine (CID 169181315) is 4-(difluoromethylidene)-2,2-diethylpyrrolidine.
What is the SMILES notation for 4-(difluoromethylidene)-2,2-diethylpyrrolidine?
The canonical SMILES for 4-(difluoromethylidene)-2,2-diethylpyrrolidine is CCC1(CC)CC(=C(F)F)CN1.
What is the InChIKey of 4-(difluoromethylidene)-2,2-diethylpyrrolidine?
The InChIKey is VGCJXLVTTBAFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-3-9(4-2)5-7(6-12-9)8(10)11/h12H,3-6H2,1-2H3.
What are the key properties of 4-(difluoromethylidene)-2,2-diethylpyrrolidine?
4-(difluoromethylidene)-2,2-diethylpyrrolidine has a molecular weight of 175.22 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-2,2-diethylpyrrolidine is sourced from PubChem (CID 169181315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).