1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine

C14H15F14NO — CID 130418367

IUPAC1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine
SMILESFC(C(F)(F)F)C(F)(F)COCC(F)(F)C(N1CCC(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C14H15F14NO/c15-8(13(23,24)25)10(16,17)5-30-6-11(18,19)9(14(26,27)28)29-3-1-7(2-4-29)12(20,21)22/h7-9H,1-6H2
InChIKeyCNZPJSZEQRMOMG-UHFFFAOYSA-N
MW479.25 g/mol
LogP5.38
Rot. Bonds7

About 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine

1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine (PubChem CID 130418367) has the molecular formula C14H15F14NO and a molecular weight of 479.25 g/mol. Its IUPAC name is 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine
PubChem CID130418367
Molecular FormulaC14H15F14NO
Molecular Weight479.25 g/mol
Exact Mass479.09
IUPAC Name1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine
SMILESFC(C(F)(F)F)C(F)(F)COCC(F)(F)C(N1CCC(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C14H15F14NO/c15-8(13(23,24)25)10(16,17)5-30-6-11(18,19)9(14(26,27)28)29-3-1-7(2-4-29)12(20,21)22/h7-9H,1-6H2
InChIKeyCNZPJSZEQRMOMG-UHFFFAOYSA-N
XLogP5.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.25
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-3,5-bis(trifluoromethyl)piperidine
CID 137474498
(2R)-4-[bis[(3R)-2,2,3,4,4,4-hexafluorobutoxy]methoxy]-1,1,1,2,3,3-hexafluorobutane
CID 99769513
1-(azepan-1-yl)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propan-1-amine
CID 130418452
1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine
CID 90935730
3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol
CID 112758141
1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine
CID 129207800
4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine
CID 142488201
(2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane
CID 98454452
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine
CID 58877740
2,2,4,4,6,6-hexakis(2,2,3,4,4,4-hexafluorobutoxy)-1,3,5,2,4,6-triazatriphosphinane-2,4,6-triium
CID 57148375
3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 121304863
2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate
CID 112758191

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine (CID 130418367) is 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine is FC(C(F)(F)F)C(F)(F)COCC(F)(F)C(N1CCC(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine?
The InChIKey is CNZPJSZEQRMOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F14NO/c15-8(13(23,24)25)10(16,17)5-30-6-11(18,19)9(14(26,27)28)29-3-1-7(2-4-29)12(20,21)22/h7-9H,1-6H2.
What are the key properties of 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine?
1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine has a molecular weight of 479.25 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 130418367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).