3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane

C11H21F2N — CID 177326278

IUPAC3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane
SMILESC=C(C)N1CCCC(C(F)F)C1.CC
InChIInChI=1S/C9H15F2N.C2H6/c1-7(2)12-5-3-4-8(6-12)9(10)11;1-2/h8-9H,1,3-6H2,2H3;1-2H3
InChIKeyRVINCSCAFFTRBI-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.52
Rot. Bonds2

About 3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane

3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane (PubChem CID 177326278) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane.

Molecular Properties

Compound Name3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane
PubChem CID177326278
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane
SMILESC=C(C)N1CCCC(C(F)F)C1.CC
InChIInChI=1S/C9H15F2N.C2H6/c1-7(2)12-5-3-4-8(6-12)9(10)11;1-2/h8-9H,1,3-6H2,2H3;1-2H3
InChIKeyRVINCSCAFFTRBI-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-chloro-1-[(3S)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
CID 129497963
(2S)-2-chloro-1-[(3R)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
CID 129497960
(2S)-2-amino-1-[(3S)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
CID 129499730
2-azido-1-[(3S)-3-(difluoromethyl)piperidin-1-yl]ethanone
CID 129497274
1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine
CID 159243068
(1-prop-1-en-2-ylpiperidin-3-yl)methanamine
CID 170576253
N,N-dimethyl-1-prop-1-en-2-ylpiperidine-3-carboxamide;ethane
CID 177327317
1-tert-butyl-3-(difluoromethyl)piperidine
CID 176615633
3-methyl-1-prop-1-en-2-ylpyrrolidine
CID 90249054
1-prop-1-en-2-ylpiperidine
CID 12570653
(2R)-2-chloro-1-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 129497185
2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid
CID 131491204

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane?
The IUPAC name of 3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane (CID 177326278) is 3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane.
What is the SMILES notation for 3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane?
The canonical SMILES for 3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane is C=C(C)N1CCCC(C(F)F)C1.CC.
What is the InChIKey of 3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane?
The InChIKey is RVINCSCAFFTRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N.C2H6/c1-7(2)12-5-3-4-8(6-12)9(10)11;1-2/h8-9H,1,3-6H2,2H3;1-2H3.
What are the key properties of 3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane?
3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane has a molecular weight of 205.29 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane is sourced from PubChem (CID 177326278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).