3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine

C14H21F2N — CID 150659761

IUPAC3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine
SMILESFC1(F)CNCCC1C1CC2CCC1C21CC1
InChIInChI=1S/C14H21F2N/c15-14(16)8-17-6-3-12(14)10-7-9-1-2-11(10)13(9)4-5-13/h9-12,17H,1-8H2
InChIKeyJDQGIWMEIXDASL-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.06
Rot. Bonds1

About 3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine

3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine (PubChem CID 150659761) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine
PubChem CID150659761
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine
SMILESFC1(F)CNCCC1C1CC2CCC1C21CC1
InChIInChI=1S/C14H21F2N/c15-14(16)8-17-6-3-12(14)10-7-9-1-2-11(10)13(9)4-5-13/h9-12,17H,1-8H2
InChIKeyJDQGIWMEIXDASL-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine?
The IUPAC name of 3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine (CID 150659761) is 3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine.
What is the SMILES notation for 3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine?
The canonical SMILES for 3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine is FC1(F)CNCCC1C1CC2CCC1C21CC1.
What is the InChIKey of 3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine?
The InChIKey is JDQGIWMEIXDASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c15-14(16)8-17-6-3-12(14)10-7-9-1-2-11(10)13(9)4-5-13/h9-12,17H,1-8H2.
What are the key properties of 3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine?
3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine has a molecular weight of 241.32 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylpiperidine is sourced from PubChem (CID 150659761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).