fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate

C11H17F3N2O2 — CID 177326834

IUPACfluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate
SMILESO=C(OF)N1CCC(N2CCCC(F)(F)C2)CC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13)4-1-5-16(8-11)9-2-6-15(7-3-9)10(17)18-14/h9H,1-8H2
InChIKeyZPWDTQCHVJGACU-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.20
Rot. Bonds1

About fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate

fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 177326834) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namefluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate
PubChem CID177326834
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Namefluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate
SMILESO=C(OF)N1CCC(N2CCCC(F)(F)C2)CC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13)4-1-5-16(8-11)9-2-6-15(7-3-9)10(17)18-14/h9H,1-8H2
InChIKeyZPWDTQCHVJGACU-UHFFFAOYSA-N
XLogP2.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate (CID 177326834) is fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate is O=C(OF)N1CCC(N2CCCC(F)(F)C2)CC1.
What is the InChIKey of fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is ZPWDTQCHVJGACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13)4-1-5-16(8-11)9-2-6-15(7-3-9)10(17)18-14/h9H,1-8H2.
What are the key properties of fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate?
fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 266.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 177326834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).