ethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine

C15H27F2N — CID 171804047

IUPACethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine
SMILESC/C=C1C(=C/CC)\C(F)(F)CCN\1C(C)C.CC
InChIInChI=1S/C13H21F2N.C2H6/c1-5-7-11-12(6-2)16(10(3)4)9-8-13(11,14)15;1-2/h6-7,10H,5,8-9H2,1-4H3;1-2H3/b11-7+,12-6+;
InChIKeyOLFXRHKGRXZWDL-ZSYKBTTMSA-N
MW259.38 g/mol
LogP5.00
Rot. Bonds2

About ethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine

ethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine (PubChem CID 171804047) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is ethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine.

Molecular Properties

Compound Nameethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine
PubChem CID171804047
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC Nameethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine
SMILESC/C=C1C(=C/CC)\C(F)(F)CCN\1C(C)C.CC
InChIInChI=1S/C13H21F2N.C2H6/c1-5-7-11-12(6-2)16(10(3)4)9-8-13(11,14)15;1-2/h6-7,10H,5,8-9H2,1-4H3;1-2H3/b11-7+,12-6+;
InChIKeyOLFXRHKGRXZWDL-ZSYKBTTMSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine?
The IUPAC name of ethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine (CID 171804047) is ethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine.
What is the SMILES notation for ethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine?
The canonical SMILES for ethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine is C/C=C1C(=C/CC)\C(F)(F)CCN\1C(C)C.CC.
What is the InChIKey of ethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine?
The InChIKey is OLFXRHKGRXZWDL-ZSYKBTTMSA-N. The full InChI is InChI=1S/C13H21F2N.C2H6/c1-5-7-11-12(6-2)16(10(3)4)9-8-13(11,14)15;1-2/h6-7,10H,5,8-9H2,1-4H3;1-2H3/b11-7+,12-6+;.
What are the key properties of ethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine?
ethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine has a molecular weight of 259.38 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3E)-2-ethylidene-4,4-difluoro-1-propan-2-yl-3-propylidenepiperidine is sourced from PubChem (CID 171804047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).