2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine

C13H22F3N — CID 70329148

IUPAC2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine
SMILESC=C(CCC(CC)C(F)(F)F)C1CCCCN1
InChIInChI=1S/C13H22F3N/c1-3-11(13(14,15)16)8-7-10(2)12-6-4-5-9-17-12/h11-12,17H,2-9H2,1H3
InChIKeyRKDHSUJEBHOHAY-UHFFFAOYSA-N
MW249.32 g/mol
LogP4.05
Rot. Bonds5

About 2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine

2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine (PubChem CID 70329148) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine
PubChem CID70329148
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine
SMILESC=C(CCC(CC)C(F)(F)F)C1CCCCN1
InChIInChI=1S/C13H22F3N/c1-3-11(13(14,15)16)8-7-10(2)12-6-4-5-9-17-12/h11-12,17H,2-9H2,1H3
InChIKeyRKDHSUJEBHOHAY-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
(3R)-2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89073715
2-Methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89154096
8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
CID 91433918
4-Fluoro-2-(3-methylpent-1-en-2-yl)pyrrolidine
CID 123254453
2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline
CID 123548028
3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine
CID 134570911
8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine
CID 134571051
2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine
CID 137400808
4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine
CID 142528853
2-Cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine
CID 144521660

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine?
The IUPAC name of 2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine (CID 70329148) is 2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine.
What is the SMILES notation for 2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine?
The canonical SMILES for 2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine is C=C(CCC(CC)C(F)(F)F)C1CCCCN1.
What is the InChIKey of 2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine?
The InChIKey is RKDHSUJEBHOHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-3-11(13(14,15)16)8-7-10(2)12-6-4-5-9-17-12/h11-12,17H,2-9H2,1H3.
What are the key properties of 2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine?
2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine has a molecular weight of 249.32 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)hept-1-en-2-yl]piperidine is sourced from PubChem (CID 70329148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).