1-(3,3,3-Trifluoroprop-1-enyl)piperidine

C8H12F3N — CID 73003830

IUPAC1-(3,3,3-trifluoroprop-1-enyl)piperidine
SMILESC1CCN(CC1)C=CC(F)(F)F
InChIInChI=1S/C8H12F3N/c9-8(10,11)4-7-12-5-2-1-3-6-12/h4,7H,1-3,5-6H2
InChIKeyTTZMUZRMUQMKQR-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.60
Rot. Bonds1

About 1-(3,3,3-Trifluoroprop-1-enyl)piperidine

1-(3,3,3-Trifluoroprop-1-enyl)piperidine (PubChem CID 73003830) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-(3,3,3-trifluoroprop-1-enyl)piperidine.

Molecular Properties

Compound Name1-(3,3,3-Trifluoroprop-1-enyl)piperidine
PubChem CID73003830
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name1-(3,3,3-trifluoroprop-1-enyl)piperidine
SMILESC1CCN(CC1)C=CC(F)(F)F
InChIInChI=1S/C8H12F3N/c9-8(10,11)4-7-12-5-2-1-3-6-12/h4,7H,1-3,5-6H2
InChIKeyTTZMUZRMUQMKQR-UHFFFAOYSA-N
XLogP2.60
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity156

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-Difluoroprop-2-enyl)piperidine
CID 177852845
1-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-enyl]piperidine
CID 21731621
1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine
CID 11550090
1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperidine
CID 11964063
4,4-Difluoro-1-prop-2-enylpiperidine
CID 117007738
1-(1,2,2-Trifluorobut-3-enyl)piperidine
CID 124118194
1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]piperidine
CID 130418350
1-But-3-enyl-4,4-difluoropiperidine
CID 133682465
1-Ethenyl-4-fluoropiperidine
CID 138571746
1-Ethenyl-3,3-difluoropiperidine
CID 145468348
1-Ethenyl-4,4-difluoropiperidine
CID 149277623
1-(3,3,3-Trifluoroprop-1-en-2-yl)piperidine
CID 155072526

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-Trifluoroprop-1-enyl)piperidine?
The IUPAC name of 1-(3,3,3-Trifluoroprop-1-enyl)piperidine (CID 73003830) is 1-(3,3,3-trifluoroprop-1-enyl)piperidine.
What is the SMILES notation for 1-(3,3,3-Trifluoroprop-1-enyl)piperidine?
The canonical SMILES for 1-(3,3,3-Trifluoroprop-1-enyl)piperidine is C1CCN(CC1)C=CC(F)(F)F.
What is the InChIKey of 1-(3,3,3-Trifluoroprop-1-enyl)piperidine?
The InChIKey is TTZMUZRMUQMKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)4-7-12-5-2-1-3-6-12/h4,7H,1-3,5-6H2.
What are the key properties of 1-(3,3,3-Trifluoroprop-1-enyl)piperidine?
1-(3,3,3-Trifluoroprop-1-enyl)piperidine has a molecular weight of 179.18 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-Trifluoroprop-1-enyl)piperidine is sourced from PubChem (CID 73003830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).