3-chloro-1-(2,2-difluoroethyl)pyrrolidine

C6H10ClF2N — CID 63387384

IUPAC3-chloro-1-(2,2-difluoroethyl)pyrrolidine
SMILESFC(F)CN1CCC(Cl)C1
InChIInChI=1S/C6H10ClF2N/c7-5-1-2-10(3-5)4-6(8)9/h5-6H,1-4H2
InChIKeyGZWPNPFJSOUCSZ-UHFFFAOYSA-N
MW169.60 g/mol
LogP1.56
Rot. Bonds2

About 3-chloro-1-(2,2-difluoroethyl)pyrrolidine

3-chloro-1-(2,2-difluoroethyl)pyrrolidine (PubChem CID 63387384) has the molecular formula C6H10ClF2N and a molecular weight of 169.60 g/mol. Its IUPAC name is 3-chloro-1-(2,2-difluoroethyl)pyrrolidine.

Molecular Properties

Compound Name3-chloro-1-(2,2-difluoroethyl)pyrrolidine
PubChem CID63387384
Molecular FormulaC6H10ClF2N
Molecular Weight169.60 g/mol
Exact Mass169.05
IUPAC Name3-chloro-1-(2,2-difluoroethyl)pyrrolidine
SMILESFC(F)CN1CCC(Cl)C1
InChIInChI=1S/C6H10ClF2N/c7-5-1-2-10(3-5)4-6(8)9/h5-6H,1-4H2
InChIKeyGZWPNPFJSOUCSZ-UHFFFAOYSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.60
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-(2-methylpropyl)pyrrolidine
CID 19819767
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
CID 169182399
2-(2,2-difluoroethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 130628620
(3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride
CID 130670186
(3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylic acid
CID 28869402
5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 130682687
3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine
CID 130531167
tert-butyl-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]carbamic acid
CID 87400889
1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine
CID 167291149
3-chloro-1-(2-ethylbutyl)piperidine
CID 82924534
[1-(2,2-difluoroethyl)azepan-3-yl]methanamine
CID 84664091

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,2-difluoroethyl)pyrrolidine?
The IUPAC name of 3-chloro-1-(2,2-difluoroethyl)pyrrolidine (CID 63387384) is 3-chloro-1-(2,2-difluoroethyl)pyrrolidine.
What is the SMILES notation for 3-chloro-1-(2,2-difluoroethyl)pyrrolidine?
The canonical SMILES for 3-chloro-1-(2,2-difluoroethyl)pyrrolidine is FC(F)CN1CCC(Cl)C1.
What is the InChIKey of 3-chloro-1-(2,2-difluoroethyl)pyrrolidine?
The InChIKey is GZWPNPFJSOUCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2N/c7-5-1-2-10(3-5)4-6(8)9/h5-6H,1-4H2.
What are the key properties of 3-chloro-1-(2,2-difluoroethyl)pyrrolidine?
3-chloro-1-(2,2-difluoroethyl)pyrrolidine has a molecular weight of 169.60 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,2-difluoroethyl)pyrrolidine is sourced from PubChem (CID 63387384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).