4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine

C12H19F4NO — CID 170588823

IUPAC4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine
SMILESCCC1(C(F)(F)F)CCN(C2COCC2F)CC1
InChIInChI=1S/C12H19F4NO/c1-2-11(12(14,15)16)3-5-17(6-4-11)10-8-18-7-9(10)13/h9-10H,2-8H2,1H3
InChIKeyHSTDCDBDAMUIPH-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.78
Rot. Bonds2

About 4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine

4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine (PubChem CID 170588823) has the molecular formula C12H19F4NO and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine
PubChem CID170588823
Molecular FormulaC12H19F4NO
Molecular Weight269.28 g/mol
Exact Mass269.14
IUPAC Name4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine
SMILESCCC1(C(F)(F)F)CCN(C2COCC2F)CC1
InChIInChI=1S/C12H19F4NO/c1-2-11(12(14,15)16)3-5-17(6-4-11)10-8-18-7-9(10)13/h9-10H,2-8H2,1H3
InChIKeyHSTDCDBDAMUIPH-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine
CID 166800027
1-(4-Fluoro-3-methyloxolan-3-yl)-4-methylpiperidine
CID 168181190
(3R)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine
CID 170186015
(3S)-4-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)morpholine
CID 170186016
1-(5-Methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 170394863
4-Ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine
CID 170587571
1-(5,5-Dimethyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 170588302
1-[4-(Trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine
CID 170588882
1-[1-(Oxolan-3-yl)-4-(trifluoromethyl)piperidin-4-yl]propan-1-amine
CID 170588948
1-(4,4-Difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 170589099
1-(4-Fluoro-3-methyloxolan-3-yl)piperidine
CID 176137042
4-Propan-2-yl-4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidine
CID 177291863

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine (CID 170588823) is 4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine is CCC1(C(F)(F)F)CCN(C2COCC2F)CC1.
What is the InChIKey of 4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is HSTDCDBDAMUIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4NO/c1-2-11(12(14,15)16)3-5-17(6-4-11)10-8-18-7-9(10)13/h9-10H,2-8H2,1H3.
What are the key properties of 4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine?
4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 269.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 170588823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).