3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane

C15H31F4NO — CID 177038710

IUPAC3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane
SMILESCC.CC.CC1CNCC1(F)F.CCC1COCC1(F)F
InChIInChI=1S/C6H10F2O.C5H9F2N.2C2H6/c1-2-5-3-9-4-6(5,7)8;1-4-2-8-3-5(4,6)7;2*1-2/h5H,2-4H2,1H3;4,8H,2-3H2,1H3;2*1-2H3
InChIKeyCUUUFXOJXFHHDT-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.59
Rot. Bonds1

About 3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane

3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane (PubChem CID 177038710) has the molecular formula C15H31F4NO and a molecular weight of 317.41 g/mol. Its IUPAC name is 3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane.

Molecular Properties

Compound Name3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane
PubChem CID177038710
Molecular FormulaC15H31F4NO
Molecular Weight317.41 g/mol
Exact Mass317.23
IUPAC Name3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane
SMILESCC.CC.CC1CNCC1(F)F.CCC1COCC1(F)F
InChIInChI=1S/C6H10F2O.C5H9F2N.2C2H6/c1-2-5-3-9-4-6(5,7)8;1-4-2-8-3-5(4,6)7;2*1-2/h5H,2-4H2,1H3;4,8H,2-3H2,1H3;2*1-2H3
InChIKeyCUUUFXOJXFHHDT-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane 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

N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine
CID 166470499
3,3-Difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine
CID 177038869
2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55083017
N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62529356
2-ethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62530971
N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 66204362
N-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 80604407
3-[2-(2,2-Difluoropropoxy)ethyl]pyrrolidine
CID 84664732
1,1-difluoro-N-[1-(oxolan-3-yl)ethyl]propan-2-amine
CID 102870134
2,2,3,3-tetrafluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104892136
4,4,4-trifluoro-N-[(2-methyloxolan-3-yl)methyl]butan-1-amine
CID 105736252
3,3,3-trifluoro-N-[(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 105736255

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane?
The IUPAC name of 3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane (CID 177038710) is 3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane.
What is the SMILES notation for 3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane?
The canonical SMILES for 3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane is CC.CC.CC1CNCC1(F)F.CCC1COCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane?
The InChIKey is CUUUFXOJXFHHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O.C5H9F2N.2C2H6/c1-2-5-3-9-4-6(5,7)8;1-4-2-8-3-5(4,6)7;2*1-2/h5H,2-4H2,1H3;4,8H,2-3H2,1H3;2*1-2H3.
What are the key properties of 3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane?
3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane has a molecular weight of 317.41 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane is sourced from PubChem (CID 177038710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).