1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine

C9H13F6N — CID 145231112

IUPAC1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine
SMILESFC(F)(F)C(CN1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H13F6N/c10-8(11,12)7(9(13,14)15)6-16-4-2-1-3-5-16/h7H,1-6H2
InChIKeyDJUCPBNMRCSXPB-UHFFFAOYSA-N
MW249.20 g/mol
LogP3.21
Rot. Bonds2

About 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine

1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine (PubChem CID 145231112) has the molecular formula C9H13F6N and a molecular weight of 249.20 g/mol. Its IUPAC name is 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine.

Molecular Properties

Compound Name1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine
PubChem CID145231112
Molecular FormulaC9H13F6N
Molecular Weight249.20 g/mol
Exact Mass249.10
IUPAC Name1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine
SMILESFC(F)(F)C(CN1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H13F6N/c10-8(11,12)7(9(13,14)15)6-16-4-2-1-3-5-16/h7H,1-6H2
InChIKeyDJUCPBNMRCSXPB-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2,3,3,3-Pentafluoropropyl)piperidine
CID 10976891
1-(3,3,3-Trifluoroprop-1-ynyl)piperidine
CID 15472876
1-(Trifluoromethyl)piperidine
CID 13147751
1-Propyl-4-(trifluoromethyl)piperidine
CID 17951327
4,4-Difluoro-1-propylpiperidine
CID 45790542
1-(2,2-Difluoropropyl)piperidine
CID 51357996
1-(2,2,3,3-Tetrafluoropropyl)piperidine
CID 12554035
1-[1,3,3,3-Tetrafluoro-2-(trifluoromethyl)prop-1-enyl]piperidine
CID 12243783
(3R)-1-methyl-3-(trifluoromethyl)piperidine
CID 1541695
(3S)-1-methyl-3-(trifluoromethyl)piperidine
CID 1541696
1-Methyl-3-(trifluoromethyl)piperidine
CID 4486325
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine
CID 13864933

Frequently Asked Questions

What is the IUPAC name of 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine?
The IUPAC name of 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine (CID 145231112) is 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine.
What is the SMILES notation for 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine?
The canonical SMILES for 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine is FC(F)(F)C(CN1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine?
The InChIKey is DJUCPBNMRCSXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6N/c10-8(11,12)7(9(13,14)15)6-16-4-2-1-3-5-16/h7H,1-6H2.
What are the key properties of 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine?
1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine has a molecular weight of 249.20 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperidine is sourced from PubChem (CID 145231112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).