3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine

C8H12F5N — CID 127017269

IUPAC3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine
SMILESFC(F)C(F)(F)CC1(F)CCCNC1
InChIInChI=1S/C8H12F5N/c9-6(10)8(12,13)4-7(11)2-1-3-14-5-7/h6,14H,1-5H2
InChIKeyXWLGMYXNSPCZKU-UHFFFAOYSA-N
MW217.18 g/mol
LogP2.37
Rot. Bonds3

About 3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine

3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine (PubChem CID 127017269) has the molecular formula C8H12F5N and a molecular weight of 217.18 g/mol. Its IUPAC name is 3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine
PubChem CID127017269
Molecular FormulaC8H12F5N
Molecular Weight217.18 g/mol
Exact Mass217.09
IUPAC Name3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine
SMILESFC(F)C(F)(F)CC1(F)CCCNC1
InChIInChI=1S/C8H12F5N/c9-6(10)8(12,13)4-7(11)2-1-3-14-5-7/h6,14H,1-5H2
InChIKeyXWLGMYXNSPCZKU-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-fluoro-3-propylpiperidine
CID 89109872
3-fluoro-3-propylpiperidine
CID 83815245
3-fluoro-3-(methoxymethyl)piperidine
CID 112562901
3-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 83815669
3-(difluoromethyl)-3-methoxypiperidine
CID 167723798
2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine
CID 115014341
1-[(3-fluoropiperidin-3-yl)methyl]-4-methylpiperazine
CID 84681273
4-[(3-fluoropiperidin-3-yl)methyl]phenol
CID 112562864
4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid
CID 105498925
(3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine
CID 144644236
(3S)-3-(difluoromethyl)-3-methylpiperidine
CID 58874293
3-fluoro-3-iodopiperidine
CID 126739580

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine?
The IUPAC name of 3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine (CID 127017269) is 3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine.
What is the SMILES notation for 3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine?
The canonical SMILES for 3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine is FC(F)C(F)(F)CC1(F)CCCNC1.
What is the InChIKey of 3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine?
The InChIKey is XWLGMYXNSPCZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5N/c9-6(10)8(12,13)4-7(11)2-1-3-14-5-7/h6,14H,1-5H2.
What are the key properties of 3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine?
3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine has a molecular weight of 217.18 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine is sourced from PubChem (CID 127017269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).