4-fluoro-4-(trifluoromethoxymethyl)piperidine

C7H11F4NO — CID 156503532

IUPAC4-fluoro-4-(trifluoromethoxymethyl)piperidine
SMILESFC1(COC(F)(F)F)CCNCC1
InChIInChI=1S/C7H11F4NO/c8-6(1-3-12-4-2-6)5-13-7(9,10)11/h12H,1-5H2
InChIKeySIDIWIUMHNFLJE-UHFFFAOYSA-N
MW201.16 g/mol
LogP1.61
Rot. Bonds2

About 4-fluoro-4-(trifluoromethoxymethyl)piperidine

4-fluoro-4-(trifluoromethoxymethyl)piperidine (PubChem CID 156503532) has the molecular formula C7H11F4NO and a molecular weight of 201.16 g/mol. Its IUPAC name is 4-fluoro-4-(trifluoromethoxymethyl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-(trifluoromethoxymethyl)piperidine
PubChem CID156503532
Molecular FormulaC7H11F4NO
Molecular Weight201.16 g/mol
Exact Mass201.08
IUPAC Name4-fluoro-4-(trifluoromethoxymethyl)piperidine
SMILESFC1(COC(F)(F)F)CCNCC1
InChIInChI=1S/C7H11F4NO/c8-6(1-3-12-4-2-6)5-13-7(9,10)11/h12H,1-5H2
InChIKeySIDIWIUMHNFLJE-UHFFFAOYSA-N
XLogP1.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-4-(3,3,3-trifluoropropyl)piperidine
CID 112563135
2-(4-fluoropiperidin-4-yl)ethanamine
CID 84731210
4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride
CID 157040671
(3S)-3-ethyl-3-fluoropyrrolidine
CID 129375311
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol
CID 102722260
4-(3,3-dimethylbutyl)-4-fluoroazepane
CID 103983980
(4-fluoropiperidin-4-yl)methyl 4-methylbenzenesulfonate
CID 135152125
3-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 83815669
4,4-difluoropiperidine;methane
CID 143607085
1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-ol
CID 156720343
ethane;4-(methoxymethyl)piperidin-4-ol
CID 143945280
N-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine
CID 105435920

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(trifluoromethoxymethyl)piperidine?
The IUPAC name of 4-fluoro-4-(trifluoromethoxymethyl)piperidine (CID 156503532) is 4-fluoro-4-(trifluoromethoxymethyl)piperidine.
What is the SMILES notation for 4-fluoro-4-(trifluoromethoxymethyl)piperidine?
The canonical SMILES for 4-fluoro-4-(trifluoromethoxymethyl)piperidine is FC1(COC(F)(F)F)CCNCC1.
What is the InChIKey of 4-fluoro-4-(trifluoromethoxymethyl)piperidine?
The InChIKey is SIDIWIUMHNFLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO/c8-6(1-3-12-4-2-6)5-13-7(9,10)11/h12H,1-5H2.
What are the key properties of 4-fluoro-4-(trifluoromethoxymethyl)piperidine?
4-fluoro-4-(trifluoromethoxymethyl)piperidine has a molecular weight of 201.16 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(trifluoromethoxymethyl)piperidine is sourced from PubChem (CID 156503532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).