4-(2,2-difluorocyclopropyl)piperidine

C8H13F2N — CID 121207618

IUPAC4-(2,2-difluorocyclopropyl)piperidine
SMILESFC1(F)CC1C1CCNCC1
InChIInChI=1S/C8H13F2N/c9-8(10)5-7(8)6-1-3-11-4-2-6/h6-7,11H,1-5H2
InChIKeyIRVNQJLBRLCVKY-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.64
Rot. Bonds1

About 4-(2,2-difluorocyclopropyl)piperidine

4-(2,2-difluorocyclopropyl)piperidine (PubChem CID 121207618) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 4-(2,2-difluorocyclopropyl)piperidine.

Molecular Properties

Compound Name4-(2,2-difluorocyclopropyl)piperidine
PubChem CID121207618
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name4-(2,2-difluorocyclopropyl)piperidine
SMILESFC1(F)CC1C1CCNCC1
InChIInChI=1S/C8H13F2N/c9-8(10)5-7(8)6-1-3-11-4-2-6/h6-7,11H,1-5H2
InChIKeyIRVNQJLBRLCVKY-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluorocyclopropyl)piperidine?
The IUPAC name of 4-(2,2-difluorocyclopropyl)piperidine (CID 121207618) is 4-(2,2-difluorocyclopropyl)piperidine.
What is the SMILES notation for 4-(2,2-difluorocyclopropyl)piperidine?
The canonical SMILES for 4-(2,2-difluorocyclopropyl)piperidine is FC1(F)CC1C1CCNCC1.
What is the InChIKey of 4-(2,2-difluorocyclopropyl)piperidine?
The InChIKey is IRVNQJLBRLCVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c9-8(10)5-7(8)6-1-3-11-4-2-6/h6-7,11H,1-5H2.
What are the key properties of 4-(2,2-difluorocyclopropyl)piperidine?
4-(2,2-difluorocyclopropyl)piperidine has a molecular weight of 161.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluorocyclopropyl)piperidine is sourced from PubChem (CID 121207618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).