1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine

C13H20F5NO — CID 170589099

IUPAC1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)C1(C(F)(F)F)CCN(C2COCC2(F)F)CC1
InChIInChI=1S/C13H20F5NO/c1-9(2)11(13(16,17)18)3-5-19(6-4-11)10-7-20-8-12(10,14)15/h9-10H,3-8H2,1-2H3
InChIKeyKQQFTMXNLYPRQM-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.32
Rot. Bonds2

About 1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine

1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 170589099) has the molecular formula C13H20F5NO and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
PubChem CID170589099
Molecular FormulaC13H20F5NO
Molecular Weight301.30 g/mol
Exact Mass301.15
IUPAC Name1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)C1(C(F)(F)F)CCN(C2COCC2(F)F)CC1
InChIInChI=1S/C13H20F5NO/c1-9(2)11(13(16,17)18)3-5-19(6-4-11)10-7-20-8-12(10,14)15/h9-10H,3-8H2,1-2H3
InChIKeyKQQFTMXNLYPRQM-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-Methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 170394863
4-Propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine
CID 170394864
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
4-Ethyl-1-(4-fluorooxolan-3-yl)-4-(trifluoromethyl)piperidine
CID 170588823
1-(2-Ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 170588903
1-[1-(Oxolan-3-yl)-4-(trifluoromethyl)piperidin-4-yl]propan-1-amine
CID 170588948
4-Propan-2-yl-4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidine
CID 177291863
1-(4-Fluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 177291948
1-(Oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 177292078
4-Propan-2-yl-4-(trifluoromethyl)-1-[4-(trifluoromethyl)oxolan-3-yl]piperidine
CID 177292091
1-(2-Methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 177292149

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (CID 170589099) is 1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is CC(C)C1(C(F)(F)F)CCN(C2COCC2(F)F)CC1.
What is the InChIKey of 1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The InChIKey is KQQFTMXNLYPRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F5NO/c1-9(2)11(13(16,17)18)3-5-19(6-4-11)10-7-20-8-12(10,14)15/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine has a molecular weight of 301.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorooxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 170589099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).