1-(1,1,1-trifluorododecan-2-yl)piperidine

C17H32F3N — CID 14764806

IUPAC1-(1,1,1-trifluorododecan-2-yl)piperidine
SMILESCCCCCCCCCCC(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C17H32F3N/c1-2-3-4-5-6-7-8-10-13-16(17(18,19)20)21-14-11-9-12-15-21/h16H,2-15H2,1H3
InChIKeyJMVCEVKVGBKVNR-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.93
Rot. Bonds10

About 1-(1,1,1-trifluorododecan-2-yl)piperidine

1-(1,1,1-trifluorododecan-2-yl)piperidine (PubChem CID 14764806) has the molecular formula C17H32F3N and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(1,1,1-trifluorododecan-2-yl)piperidine.

Molecular Properties

Compound Name1-(1,1,1-trifluorododecan-2-yl)piperidine
PubChem CID14764806
Molecular FormulaC17H32F3N
Molecular Weight307.44 g/mol
Exact Mass307.25
IUPAC Name1-(1,1,1-trifluorododecan-2-yl)piperidine
SMILESCCCCCCCCCCC(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C17H32F3N/c1-2-3-4-5-6-7-8-10-13-16(17(18,19)20)21-14-11-9-12-15-21/h16H,2-15H2,1H3
InChIKeyJMVCEVKVGBKVNR-UHFFFAOYSA-N
XLogP5.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine
CID 134975254
N-octyl-N-(2,2,2-trifluoroethyl)octan-1-amine
CID 13510104
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine
CID 15604852
2-(1,1,2,3,3,3-Hexafluoropropyl)-1-methylpiperidine
CID 17997696
1-(2,2,3,4,4,4-Hexafluorobutyl)-2-(1,1,2,3,3,3-hexafluoropropyl)piperidine
CID 17997714
N-dodecyl-N-(trifluoromethyl)dodecan-1-amine
CID 18186054
2-(1,1-Difluoropropyl)-1-methylpiperidine
CID 53845807
2-Ethyl-1-(3,3,3-trifluoropropyl)piperidine
CID 57150653
1-Propan-2-yl-2-(trifluoromethyl)piperidine
CID 58066253
1-Tert-butyl-2-(trifluoromethyl)piperidine
CID 58083437
3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine
CID 59059933
1-Butan-2-yl-4,4-difluoropiperidine
CID 68081573

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluorododecan-2-yl)piperidine?
The IUPAC name of 1-(1,1,1-trifluorododecan-2-yl)piperidine (CID 14764806) is 1-(1,1,1-trifluorododecan-2-yl)piperidine.
What is the SMILES notation for 1-(1,1,1-trifluorododecan-2-yl)piperidine?
The canonical SMILES for 1-(1,1,1-trifluorododecan-2-yl)piperidine is CCCCCCCCCCC(N1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluorododecan-2-yl)piperidine?
The InChIKey is JMVCEVKVGBKVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F3N/c1-2-3-4-5-6-7-8-10-13-16(17(18,19)20)21-14-11-9-12-15-21/h16H,2-15H2,1H3.
What are the key properties of 1-(1,1,1-trifluorododecan-2-yl)piperidine?
1-(1,1,1-trifluorododecan-2-yl)piperidine has a molecular weight of 307.44 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluorododecan-2-yl)piperidine is sourced from PubChem (CID 14764806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).