1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine

C9H13F4N — CID 118673895

IUPAC1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine
SMILESCC(=C(F)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H13F4N/c1-7(9(11,12)13)8(10)14-5-3-2-4-6-14/h2-6H2,1H3
InChIKeyPSWUPNXJBQPEJW-UHFFFAOYSA-N
MW211.20 g/mol
LogP3.24
Rot. Bonds1

About 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine

1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine (PubChem CID 118673895) has the molecular formula C9H13F4N and a molecular weight of 211.20 g/mol. Its IUPAC name is 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine.

Molecular Properties

Compound Name1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine
PubChem CID118673895
Molecular FormulaC9H13F4N
Molecular Weight211.20 g/mol
Exact Mass211.10
IUPAC Name1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine
SMILESCC(=C(F)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H13F4N/c1-7(9(11,12)13)8(10)14-5-3-2-4-6-14/h2-6H2,1H3
InChIKeyPSWUPNXJBQPEJW-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1,3,3,3-Tetrafluoro-2-(trifluoromethyl)prop-1-enyl]piperidine
CID 12243783
3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine
CID 134923590
N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine
CID 134923673
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine
CID 13864933
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-pentylpiperidine
CID 19783528
1-Butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
CID 19783538
4-(Difluoromethylidene)-1-methylpiperidine
CID 20612506
1-(1,1,2,3,3-Pentafluoroprop-2-enyl)piperidine
CID 67894316
1-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)piperidine
CID 118673879
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 118673891
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine
CID 118673893
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]piperidine
CID 129207489

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine?
The IUPAC name of 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine (CID 118673895) is 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine.
What is the SMILES notation for 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine?
The canonical SMILES for 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine is CC(=C(F)N1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine?
The InChIKey is PSWUPNXJBQPEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4N/c1-7(9(11,12)13)8(10)14-5-3-2-4-6-14/h2-6H2,1H3.
What are the key properties of 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine?
1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine has a molecular weight of 211.20 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)piperidine is sourced from PubChem (CID 118673895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).