1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane

C18H32F4N2O2 — CID 143625965

IUPAC1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane
SMILESCC.CCC(=O)N1CCC(F)(F)CC1.CCC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/2C8H13F2NO.C2H6/c1-2-7(12)11-5-3-8(9,10)4-6-11;1-2-7(12)11-5-3-4-8(9,10)6-11;1-2/h2*2-6H2,1H3;1-2H3
InChIKeyCYDSSNFYGRQSIH-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.33
Rot. Bonds2

About 1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane

1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane (PubChem CID 143625965) has the molecular formula C18H32F4N2O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane.

Molecular Properties

Compound Name1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane
PubChem CID143625965
Molecular FormulaC18H32F4N2O2
Molecular Weight384.46 g/mol
Exact Mass384.24
IUPAC Name1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane
SMILESCC.CCC(=O)N1CCC(F)(F)CC1.CCC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/2C8H13F2NO.C2H6/c1-2-7(12)11-5-3-8(9,10)4-6-11;1-2-7(12)11-5-3-4-8(9,10)6-11;1-2/h2*2-6H2,1H3;1-2H3
InChIKeyCYDSSNFYGRQSIH-UHFFFAOYSA-N
XLogP4.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane?
The IUPAC name of 1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane (CID 143625965) is 1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane.
What is the SMILES notation for 1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane?
The canonical SMILES for 1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane is CC.CCC(=O)N1CCC(F)(F)CC1.CCC(=O)N1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane?
The InChIKey is CYDSSNFYGRQSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13F2NO.C2H6/c1-2-7(12)11-5-3-8(9,10)4-6-11;1-2-7(12)11-5-3-4-8(9,10)6-11;1-2/h2*2-6H2,1H3;1-2H3.
What are the key properties of 1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane?
1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane has a molecular weight of 384.46 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane is sourced from PubChem (CID 143625965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).