4-tert-butyl-3,3-difluoropiperidine

C9H17F2N — CID 58394942

IUPAC4-tert-butyl-3,3-difluoropiperidine
SMILESCC(C)(C)C1CCNCC1(F)F
InChIInChI=1S/C9H17F2N/c1-8(2,3)7-4-5-12-6-9(7,10)11/h7,12H,4-6H2,1-3H3
InChIKeyKCPTWRAHQQJXFK-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.28
Rot. Bonds

About 4-tert-butyl-3,3-difluoropiperidine

4-tert-butyl-3,3-difluoropiperidine (PubChem CID 58394942) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 4-tert-butyl-3,3-difluoropiperidine.

Molecular Properties

Compound Name4-tert-butyl-3,3-difluoropiperidine
PubChem CID58394942
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name4-tert-butyl-3,3-difluoropiperidine
SMILESCC(C)(C)C1CCNCC1(F)F
InChIInChI=1S/C9H17F2N/c1-8(2,3)7-4-5-12-6-9(7,10)11/h7,12H,4-6H2,1-3H3
InChIKeyKCPTWRAHQQJXFK-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,3-difluoropiperidine?
The IUPAC name of 4-tert-butyl-3,3-difluoropiperidine (CID 58394942) is 4-tert-butyl-3,3-difluoropiperidine.
What is the SMILES notation for 4-tert-butyl-3,3-difluoropiperidine?
The canonical SMILES for 4-tert-butyl-3,3-difluoropiperidine is CC(C)(C)C1CCNCC1(F)F.
What is the InChIKey of 4-tert-butyl-3,3-difluoropiperidine?
The InChIKey is KCPTWRAHQQJXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-8(2,3)7-4-5-12-6-9(7,10)11/h7,12H,4-6H2,1-3H3.
What are the key properties of 4-tert-butyl-3,3-difluoropiperidine?
4-tert-butyl-3,3-difluoropiperidine has a molecular weight of 177.24 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,3-difluoropiperidine is sourced from PubChem (CID 58394942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).