3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine

C8H13ClF3NO — CID 63387608

IUPAC3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
SMILESFC(F)(F)COCCN1CCC(Cl)C1
InChIInChI=1S/C8H13ClF3NO/c9-7-1-2-13(5-7)3-4-14-6-8(10,11)12/h7H,1-6H2
InChIKeyNNMFSNFISSHOGY-UHFFFAOYSA-N
MW231.64 g/mol
LogP1.88
Rot. Bonds4

About 3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine

3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine (PubChem CID 63387608) has the molecular formula C8H13ClF3NO and a molecular weight of 231.64 g/mol. Its IUPAC name is 3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
PubChem CID63387608
Molecular FormulaC8H13ClF3NO
Molecular Weight231.64 g/mol
Exact Mass231.06
IUPAC Name3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
SMILESFC(F)(F)COCCN1CCC(Cl)C1
InChIInChI=1S/C8H13ClF3NO/c9-7-1-2-13(5-7)3-4-14-6-8(10,11)12/h7H,1-6H2
InChIKeyNNMFSNFISSHOGY-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 82701438
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 63828603
N,3-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 114507398
3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567095
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 63762470
(3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 104975515
3-chloro-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 63386728
3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64834410
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63252709
3-(2-bromoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 80690484
4-(1-bromoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 106838250
N-ethyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 55257799

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The IUPAC name of 3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine (CID 63387608) is 3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The canonical SMILES for 3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine is FC(F)(F)COCCN1CCC(Cl)C1.
What is the InChIKey of 3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The InChIKey is NNMFSNFISSHOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3NO/c9-7-1-2-13(5-7)3-4-14-6-8(10,11)12/h7H,1-6H2.
What are the key properties of 3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine has a molecular weight of 231.64 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 63387608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).