1,4-ditert-butyl-3,3-difluoropiperidine

C13H25F2N — CID 146490767

IUPAC1,4-ditert-butyl-3,3-difluoropiperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1(F)F
InChIInChI=1S/C13H25F2N/c1-11(2,3)10-7-8-16(12(4,5)6)9-13(10,14)15/h10H,7-9H2,1-6H3
InChIKeyCAUSHDIEUQHBSO-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.79
Rot. Bonds

About 1,4-ditert-butyl-3,3-difluoropiperidine

1,4-ditert-butyl-3,3-difluoropiperidine (PubChem CID 146490767) has the molecular formula C13H25F2N and a molecular weight of 233.35 g/mol. Its IUPAC name is 1,4-ditert-butyl-3,3-difluoropiperidine.

Molecular Properties

Compound Name1,4-ditert-butyl-3,3-difluoropiperidine
PubChem CID146490767
Molecular FormulaC13H25F2N
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1,4-ditert-butyl-3,3-difluoropiperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1(F)F
InChIInChI=1S/C13H25F2N/c1-11(2,3)10-7-8-16(12(4,5)6)9-13(10,14)15/h10H,7-9H2,1-6H3
InChIKeyCAUSHDIEUQHBSO-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-3,3-difluoropiperidine?
The IUPAC name of 1,4-ditert-butyl-3,3-difluoropiperidine (CID 146490767) is 1,4-ditert-butyl-3,3-difluoropiperidine.
What is the SMILES notation for 1,4-ditert-butyl-3,3-difluoropiperidine?
The canonical SMILES for 1,4-ditert-butyl-3,3-difluoropiperidine is CC(C)(C)C1CCN(C(C)(C)C)CC1(F)F.
What is the InChIKey of 1,4-ditert-butyl-3,3-difluoropiperidine?
The InChIKey is CAUSHDIEUQHBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2N/c1-11(2,3)10-7-8-16(12(4,5)6)9-13(10,14)15/h10H,7-9H2,1-6H3.
What are the key properties of 1,4-ditert-butyl-3,3-difluoropiperidine?
1,4-ditert-butyl-3,3-difluoropiperidine has a molecular weight of 233.35 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-3,3-difluoropiperidine is sourced from PubChem (CID 146490767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).