4-fluoro-3-(2,2,2-trifluoroethyl)piperidine

C7H11F4N — CID 84769566

IUPAC4-fluoro-3-(2,2,2-trifluoroethyl)piperidine
SMILESFC1CCNCC1CC(F)(F)F
InChIInChI=1S/C7H11F4N/c8-6-1-2-12-4-5(6)3-7(9,10)11/h5-6,12H,1-4H2
InChIKeyFCVCLPIESIBGPD-UHFFFAOYSA-N
MW185.16 g/mol
LogP1.89
Rot. Bonds1

About 4-fluoro-3-(2,2,2-trifluoroethyl)piperidine

4-fluoro-3-(2,2,2-trifluoroethyl)piperidine (PubChem CID 84769566) has the molecular formula C7H11F4N and a molecular weight of 185.16 g/mol. Its IUPAC name is 4-fluoro-3-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-fluoro-3-(2,2,2-trifluoroethyl)piperidine
PubChem CID84769566
Molecular FormulaC7H11F4N
Molecular Weight185.16 g/mol
Exact Mass185.08
IUPAC Name4-fluoro-3-(2,2,2-trifluoroethyl)piperidine
SMILESFC1CCNCC1CC(F)(F)F
InChIInChI=1S/C7H11F4N/c8-6-1-2-12-4-5(6)3-7(9,10)11/h5-6,12H,1-4H2
InChIKeyFCVCLPIESIBGPD-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2,2-trifluoroethyl)azepan-4-ol
CID 83484906
(3S,4R)-4-fluoropiperidin-3-amine
CID 97053659
(3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine
CID 58286803
4-fluoro-5-propylazepane
CID 84650925
(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride
CID 170923054
3-(2,2-dimethylpropyl)-4-methylpiperidine
CID 164775462
(3R)-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 82955468
3-(2-fluoro-2-methylbutyl)pyrrolidine
CID 105431306
[3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine
CID 82602052
N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 79741324
1,1,1-trifluoro-3-(4-methylpiperidin-3-yl)propan-2-one
CID 147887564
[3-(aminomethyl)piperidin-4-yl]methanamine
CID 21186518

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-fluoro-3-(2,2,2-trifluoroethyl)piperidine (CID 84769566) is 4-fluoro-3-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-fluoro-3-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-fluoro-3-(2,2,2-trifluoroethyl)piperidine is FC1CCNCC1CC(F)(F)F.
What is the InChIKey of 4-fluoro-3-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is FCVCLPIESIBGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4N/c8-6-1-2-12-4-5(6)3-7(9,10)11/h5-6,12H,1-4H2.
What are the key properties of 4-fluoro-3-(2,2,2-trifluoroethyl)piperidine?
4-fluoro-3-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 185.16 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 84769566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).