4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid

C8H12F5NO2 — CID 68758252

IUPAC4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid
SMILESFC(F)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11F2N.C2HF3O2/c7-6(8)5-1-3-9-4-2-5;3-2(4,5)1(6)7/h5-6,9H,1-4H2;(H,6,7)
InChIKeySGADEESCXCKHDB-UHFFFAOYSA-N
MW249.18 g/mol
LogP1.88
Rot. Bonds1

About 4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid

4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid (PubChem CID 68758252) has the molecular formula C8H12F5NO2 and a molecular weight of 249.18 g/mol. Its IUPAC name is 4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid
PubChem CID68758252
Molecular FormulaC8H12F5NO2
Molecular Weight249.18 g/mol
Exact Mass249.08
IUPAC Name4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid
SMILESFC(F)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11F2N.C2HF3O2/c7-6(8)5-1-3-9-4-2-5;3-2(4,5)1(6)7/h5-6,9H,1-4H2;(H,6,7)
InChIKeySGADEESCXCKHDB-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid 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

3,3-Difluoropiperidine-4-carboxylic acid
CID 83480508
4-(Azetidin-1-ylmethyl)piperidine,bis(trifluoroacetic acid)
CID 53484595
Piperidine;2,2,2-trifluoroacetic acid
CID 11983751
2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide
CID 22040242
4-Methoxymethylpiperidine trifluoroacetate
CID 22507710
Piperidine;tris(2,2,2-trifluoroacetic acid)
CID 23001594
(1-Propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
CID 23018851
Piperidine-4-carbonitrile trifluoroacetate
CID 66657906
6-Azaspiro[2.5]octane trifluoroacetate
CID 66661397
N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 67240702
3-Piperidinecarbonitrile Trifluoroacetic Acid Salt
CID 67385580
(R)-piperidine-3-carbonitrile trifluoroacetic acid
CID 67390990

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid (CID 68758252) is 4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid is FC(F)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is SGADEESCXCKHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.C2HF3O2/c7-6(8)5-1-3-9-4-2-5;3-2(4,5)1(6)7/h5-6,9H,1-4H2;(H,6,7).
What are the key properties of 4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid?
4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 249.18 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68758252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).