4,4-difluoro-1,3-dimethylpiperidine

C7H13F2N — CID 71656082

IUPAC4,4-difluoro-1,3-dimethylpiperidine
SMILESCC1CN(C)CCC1(F)F
InChIInChI=1S/C7H13F2N/c1-6-5-10(2)4-3-7(6,8)9/h6H,3-5H2,1-2H3
InChIKeyTXGUJJOFIVGZFB-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.59
Rot. Bonds

About 4,4-difluoro-1,3-dimethylpiperidine

4,4-difluoro-1,3-dimethylpiperidine (PubChem CID 71656082) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 4,4-difluoro-1,3-dimethylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-1,3-dimethylpiperidine
PubChem CID71656082
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name4,4-difluoro-1,3-dimethylpiperidine
SMILESCC1CN(C)CCC1(F)F
InChIInChI=1S/C7H13F2N/c1-6-5-10(2)4-3-7(6,8)9/h6H,3-5H2,1-2H3
InChIKeyTXGUJJOFIVGZFB-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,3-dimethylpiperidine?
The IUPAC name of 4,4-difluoro-1,3-dimethylpiperidine (CID 71656082) is 4,4-difluoro-1,3-dimethylpiperidine.
What is the SMILES notation for 4,4-difluoro-1,3-dimethylpiperidine?
The canonical SMILES for 4,4-difluoro-1,3-dimethylpiperidine is CC1CN(C)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-1,3-dimethylpiperidine?
The InChIKey is TXGUJJOFIVGZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-6-5-10(2)4-3-7(6,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 4,4-difluoro-1,3-dimethylpiperidine?
4,4-difluoro-1,3-dimethylpiperidine has a molecular weight of 149.18 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,3-dimethylpiperidine is sourced from PubChem (CID 71656082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).