3,5-bis(trifluoromethyl)piperidine

C7H9F6N — CID 10036439

IUPAC3,5-bis(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CNCC(C(F)(F)F)C1
InChIInChI=1S/C7H9F6N/c8-6(9,10)4-1-5(3-14-2-4)7(11,12)13/h4-5,14H,1-3H2
InChIKeyWNSWTDWANMVMDB-UHFFFAOYSA-N
MW221.14 g/mol
LogP2.34
Rot. Bonds

About 3,5-bis(trifluoromethyl)piperidine

3,5-bis(trifluoromethyl)piperidine (PubChem CID 10036439) has the molecular formula C7H9F6N and a molecular weight of 221.14 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)piperidine
PubChem CID10036439
Molecular FormulaC7H9F6N
Molecular Weight221.14 g/mol
Exact Mass221.06
IUPAC Name3,5-bis(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CNCC(C(F)(F)F)C1
InChIInChI=1S/C7H9F6N/c8-6(9,10)4-1-5(3-14-2-4)7(11,12)13/h4-5,14H,1-3H2
InChIKeyWNSWTDWANMVMDB-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Trifluoromethyl)piperidine
CID 136469
4,4-Difluoropiperidine
CID 2758352
3-(Trifluoromethyl)piperidine
CID 2760776
3,3-Difluoropiperidine
CID 2758350
4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160
(S)-3-(Trifluoromethyl)piperidine
CID 7062692
3-(Fluoromethyl)piperidine hydrochloride
CID 49761297
rac-(2R,4S)-4-methyl-2-(trifluoromethyl)piperidine
CID 52810925
4-(Difluoromethyl)piperidine hydrochloride
CID 53346560
3-(Difluoromethyl)piperidine hydrochloride
CID 53346561
3-(2-Fluoroethyl)piperidine
CID 53409224
3-(Trifluoromethyl)piperidine hydrochloride
CID 68566404

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 3,5-bis(trifluoromethyl)piperidine (CID 10036439) is 3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 3,5-bis(trifluoromethyl)piperidine is FC(F)(F)C1CNCC(C(F)(F)F)C1.
What is the InChIKey of 3,5-bis(trifluoromethyl)piperidine?
The InChIKey is WNSWTDWANMVMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6N/c8-6(9,10)4-1-5(3-14-2-4)7(11,12)13/h4-5,14H,1-3H2.
What are the key properties of 3,5-bis(trifluoromethyl)piperidine?
3,5-bis(trifluoromethyl)piperidine has a molecular weight of 221.14 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 10036439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).