3-(1,1-difluoropropyl)-3-ethylpyrrolidine

C9H17F2N — CID 88977973

IUPAC3-(1,1-difluoropropyl)-3-ethylpyrrolidine
SMILESCCC(F)(F)C1(CC)CCNC1
InChIInChI=1S/C9H17F2N/c1-3-8(5-6-12-7-8)9(10,11)4-2/h12H,3-7H2,1-2H3
InChIKeyRAYGPLFFCWANNK-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.42
Rot. Bonds3

About 3-(1,1-difluoropropyl)-3-ethylpyrrolidine

3-(1,1-difluoropropyl)-3-ethylpyrrolidine (PubChem CID 88977973) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 3-(1,1-difluoropropyl)-3-ethylpyrrolidine.

Molecular Properties

Compound Name3-(1,1-difluoropropyl)-3-ethylpyrrolidine
PubChem CID88977973
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name3-(1,1-difluoropropyl)-3-ethylpyrrolidine
SMILESCCC(F)(F)C1(CC)CCNC1
InChIInChI=1S/C9H17F2N/c1-3-8(5-6-12-7-8)9(10,11)4-2/h12H,3-7H2,1-2H3
InChIKeyRAYGPLFFCWANNK-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(1,1-difluoropropyl)-3-ethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-Diethylpyrrolidine
CID 19090605
3-Methyl-3-propylpyrrolidine
CID 22393542
2,2-Difluoro-6-azaspiro(3.4)octane;hydrochloride
CID 146082221
6,6-Difluoro-2-azaspiro[4.4]nonane hydrochloride
CID 105451191
7,7-Difluoro-2-azaspiro[4.4]nonane hydrochloride
CID 105451192
8-(Difluoromethyl)-6-azaspiro[3.4]octane
CID 146155401
6,6-Difluoro-2-methyl-2,8-diazaspiro(4.5)decane
CID 155893548
8-(Trifluoromethyl)-6-azaspiro(3.4)octane hydrochloride
CID 165767739
(7S)-2,2-difluoro-7-methyl-6-azaspiro(3.4)octane hydrochloride
CID 165885107
3-Methyl-3-propylpyrrolidine hydrochloride
CID 167717503
(7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane hydrochloride
CID 167736101
3-Methyl-3-(2,2,2-trifluoroethyl)pyrrolidine
CID 133188472

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropyl)-3-ethylpyrrolidine?
The IUPAC name of 3-(1,1-difluoropropyl)-3-ethylpyrrolidine (CID 88977973) is 3-(1,1-difluoropropyl)-3-ethylpyrrolidine.
What is the SMILES notation for 3-(1,1-difluoropropyl)-3-ethylpyrrolidine?
The canonical SMILES for 3-(1,1-difluoropropyl)-3-ethylpyrrolidine is CCC(F)(F)C1(CC)CCNC1.
What is the InChIKey of 3-(1,1-difluoropropyl)-3-ethylpyrrolidine?
The InChIKey is RAYGPLFFCWANNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-3-8(5-6-12-7-8)9(10,11)4-2/h12H,3-7H2,1-2H3.
What are the key properties of 3-(1,1-difluoropropyl)-3-ethylpyrrolidine?
3-(1,1-difluoropropyl)-3-ethylpyrrolidine has a molecular weight of 177.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropyl)-3-ethylpyrrolidine is sourced from PubChem (CID 88977973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).