4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane

C12H25F2N — CID 163663590

IUPAC4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane
SMILESCC.CC(C)(C)CC1CCNC(F)(F)C1
InChIInChI=1S/C10H19F2N.C2H6/c1-9(2,3)6-8-4-5-13-10(11,12)7-8;1-2/h8,13H,4-7H2,1-3H3;1-2H3
InChIKeyIWLRQFRXMRHEKB-UHFFFAOYSA-N
MW221.33 g/mol
LogP4.04
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane

4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane (PubChem CID 163663590) has the molecular formula C12H25F2N and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane
PubChem CID163663590
Molecular FormulaC12H25F2N
Molecular Weight221.33 g/mol
Exact Mass221.20
IUPAC Name4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane
SMILESCC.CC(C)(C)CC1CCNC(F)(F)C1
InChIInChI=1S/C10H19F2N.C2H6/c1-9(2,3)6-8-4-5-13-10(11,12)7-8;1-2/h8,13H,4-7H2,1-3H3;1-2H3
InChIKeyIWLRQFRXMRHEKB-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane?
The IUPAC name of 4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane (CID 163663590) is 4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane is CC.CC(C)(C)CC1CCNC(F)(F)C1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane?
The InChIKey is IWLRQFRXMRHEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N.C2H6/c1-9(2,3)6-8-4-5-13-10(11,12)7-8;1-2/h8,13H,4-7H2,1-3H3;1-2H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane?
4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane has a molecular weight of 221.33 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2,2-difluoropiperidine;ethane is sourced from PubChem (CID 163663590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).