1-(2,2-difluoroethyl)-3-methylpyrrolidine

C7H13F2N — CID 58279612

IUPAC1-(2,2-difluoroethyl)-3-methylpyrrolidine
SMILESCC1CCN(CC(F)F)C1
InChIInChI=1S/C7H13F2N/c1-6-2-3-10(4-6)5-7(8)9/h6-7H,2-5H2,1H3
InChIKeyQJUDTYJRZHLPFH-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.59
Rot. Bonds2

About 1-(2,2-difluoroethyl)-3-methylpyrrolidine

1-(2,2-difluoroethyl)-3-methylpyrrolidine (PubChem CID 58279612) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methylpyrrolidine
PubChem CID58279612
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name1-(2,2-difluoroethyl)-3-methylpyrrolidine
SMILESCC1CCN(CC(F)F)C1
InChIInChI=1S/C7H13F2N/c1-6-2-3-10(4-6)5-7(8)9/h6-7H,2-5H2,1H3
InChIKeyQJUDTYJRZHLPFH-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2,2-Trifluoroethyl)pyrrolidine
CID 21810045
1,3-Dimethylpyrrolidine
CID 237662
2,2-Difluoro-1,3,3-trimethylpyrrolidine
CID 10329427
Trifluoromethylpyrrolidine
CID 22011299
1-Ethyl-3-methylpyrrolidine
CID 11274984
3,3-Difluoro-1-methylpyrrolidine
CID 20775182
2,2,3,4,5,5-Hexafluoro-3,4-dimethyl-1-propylpyrrolidine
CID 22253783
3-(Fluoromethyl)-1-methylpyrrolidine
CID 22903693
2,2,3,4,5,5-Hexafluoro-1,3,4-trimethylpyrrolidine
CID 23591723
(3S)-1-(2,2-difluoroethyl)-3-methylpyrrolidine
CID 57639847
(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine
CID 57970087
(3R)-1-(2,2-difluoroethyl)-3-methylpyrrolidine
CID 57973918

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methylpyrrolidine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methylpyrrolidine (CID 58279612) is 1-(2,2-difluoroethyl)-3-methylpyrrolidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methylpyrrolidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methylpyrrolidine is CC1CCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methylpyrrolidine?
The InChIKey is QJUDTYJRZHLPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-6-2-3-10(4-6)5-7(8)9/h6-7H,2-5H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methylpyrrolidine?
1-(2,2-difluoroethyl)-3-methylpyrrolidine has a molecular weight of 149.18 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methylpyrrolidine is sourced from PubChem (CID 58279612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).