1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane

C13H25F2N — CID 169182354

IUPAC1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane
SMILESC=C(C(F)F)N1CCC(C(C)C)CC1.CC
InChIInChI=1S/C11H19F2N.C2H6/c1-8(2)10-4-6-14(7-5-10)9(3)11(12)13;1-2/h8,10-11H,3-7H2,1-2H3;1-2H3
InChIKeyBMSVUJJQXQNKLF-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.16
Rot. Bonds3

About 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane

1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane (PubChem CID 169182354) has the molecular formula C13H25F2N and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane.

Molecular Properties

Compound Name1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane
PubChem CID169182354
Molecular FormulaC13H25F2N
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane
SMILESC=C(C(F)F)N1CCC(C(C)C)CC1.CC
InChIInChI=1S/C11H19F2N.C2H6/c1-8(2)10-4-6-14(7-5-10)9(3)11(12)13;1-2/h8,10-11H,3-7H2,1-2H3;1-2H3
InChIKeyBMSVUJJQXQNKLF-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane?
The IUPAC name of 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane (CID 169182354) is 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane.
What is the SMILES notation for 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane?
The canonical SMILES for 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane is C=C(C(F)F)N1CCC(C(C)C)CC1.CC.
What is the InChIKey of 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane?
The InChIKey is BMSVUJJQXQNKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N.C2H6/c1-8(2)10-4-6-14(7-5-10)9(3)11(12)13;1-2/h8,10-11H,3-7H2,1-2H3;1-2H3.
What are the key properties of 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane?
1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane has a molecular weight of 233.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane is sourced from PubChem (CID 169182354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).