1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine

C9H14F3N — CID 163727727

IUPAC1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine
SMILESC=C(C)N1CCCCC1C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-7(2)13-6-4-3-5-8(13)9(10,11)12/h8H,1,3-6H2,2H3
InChIKeyKXAKWEUWUHUBCR-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.94
Rot. Bonds1

About 1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine

1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine (PubChem CID 163727727) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine
PubChem CID163727727
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine
SMILESC=C(C)N1CCCCC1C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-7(2)13-6-4-3-5-8(13)9(10,11)12/h8H,1,3-6H2,2H3
InChIKeyKXAKWEUWUHUBCR-UHFFFAOYSA-N
XLogP2.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 58083437
(2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate
CID 71744697
2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 142792132
2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone
CID 176516168
1-(2-ethenylpiperidin-1-yl)ethenol
CID 10630712
(E)-3-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]prop-2-en-1-one
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2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone
CID 91815998
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2-(trifluoromethyl)pyrrolidine-1-carbaldehyde
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CID 147661975

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine?
The IUPAC name of 1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine (CID 163727727) is 1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine?
The canonical SMILES for 1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine is C=C(C)N1CCCCC1C(F)(F)F.
What is the InChIKey of 1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine?
The InChIKey is KXAKWEUWUHUBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-7(2)13-6-4-3-5-8(13)9(10,11)12/h8H,1,3-6H2,2H3.
What are the key properties of 1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine?
1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine has a molecular weight of 193.21 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 163727727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).