1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine

C10H14F5N — CID 146426189

IUPAC1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
SMILESC=C(F)C(C)(F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H14F5N/c1-7(11)9(2,12)16-5-3-8(4-6-16)10(13,14)15/h8H,1,3-6H2,2H3
InChIKeyRXOITCAMCVJERC-UHFFFAOYSA-N
MW243.22 g/mol
LogP3.43
Rot. Bonds2

About 1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine

1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine (PubChem CID 146426189) has the molecular formula C10H14F5N and a molecular weight of 243.22 g/mol. Its IUPAC name is 1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
PubChem CID146426189
Molecular FormulaC10H14F5N
Molecular Weight243.22 g/mol
Exact Mass243.10
IUPAC Name1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
SMILESC=C(F)C(C)(F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H14F5N/c1-7(11)9(2,12)16-5-3-8(4-6-16)10(13,14)15/h8H,1,3-6H2,2H3
InChIKeyRXOITCAMCVJERC-UHFFFAOYSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine 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

1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 124118178
3,5-Bis(trifluoromethyl)-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
CID 124118197
3,5-Bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
CID 129207487
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)piperidine
CID 129207488
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
CID 129207490
4-(Trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
CID 129207498
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
CID 129207499
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine
CID 129207501
1-(1,2-Difluoroprop-2-enyl)-4-(trifluoromethyl)piperidine
CID 129207792
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine
CID 129207800
1-(1,1,1,3-Tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
CID 129207966
1-(1,1,1,3-Tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
CID 129207967

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine (CID 146426189) is 1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine is C=C(F)C(C)(F)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is RXOITCAMCVJERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5N/c1-7(11)9(2,12)16-5-3-8(4-6-16)10(13,14)15/h8H,1,3-6H2,2H3.
What are the key properties of 1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine?
1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 243.22 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 146426189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).