3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine

C9H15ClF3N — CID 63388757

IUPAC3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESFC(F)(F)CN1CCCC(CCCl)C1
InChIInChI=1S/C9H15ClF3N/c10-4-3-8-2-1-5-14(6-8)7-9(11,12)13/h8H,1-7H2
InChIKeyORBVQODIJPEMBZ-UHFFFAOYSA-N
MW229.67 g/mol
LogP2.89
Rot. Bonds3

About 3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine

3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 63388757) has the molecular formula C9H15ClF3N and a molecular weight of 229.67 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID63388757
Molecular FormulaC9H15ClF3N
Molecular Weight229.67 g/mol
Exact Mass229.08
IUPAC Name3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESFC(F)(F)CN1CCCC(CCCl)C1
InChIInChI=1S/C9H15ClF3N/c10-4-3-8-2-1-5-14(6-8)7-9(11,12)13/h8H,1-7H2
InChIKeyORBVQODIJPEMBZ-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 52.89
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-(2-chloroethyl)-1-(4,4,4-trifluorobutyl)piperidine
CID 115518381
3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine
CID 63388660
(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528
5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 112644358
1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine
CID 63388194
[1-(2,2-difluoropropyl)piperidin-3-yl]methanamine
CID 84664103
2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine
CID 152569191
3-(2-chloroethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183960
3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine
CID 65165279
3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine
CID 112654364
1,3-bis(2-chloroethyl)pyrrolidine;hydrochloride
CID 69446979
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42950662

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine (CID 63388757) is 3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine is FC(F)(F)CN1CCCC(CCCl)C1.
What is the InChIKey of 3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is ORBVQODIJPEMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3N/c10-4-3-8-2-1-5-14(6-8)7-9(11,12)13/h8H,1-7H2.
What are the key properties of 3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine?
3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 229.67 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 63388757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).