3,3-difluoro-4-methylpiperidin-1-amine;ethane

C8H18F2N2 — CID 170578064

IUPAC3,3-difluoro-4-methylpiperidin-1-amine;ethane
SMILESCC.CC1CCN(N)CC1(F)F
InChIInChI=1S/C6H12F2N2.C2H6/c1-5-2-3-10(9)4-6(5,7)8;1-2/h5H,2-4,9H2,1H3;1-2H3
InChIKeySHBZXGQEWHPATC-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.86
Rot. Bonds

About 3,3-difluoro-4-methylpiperidin-1-amine;ethane

3,3-difluoro-4-methylpiperidin-1-amine;ethane (PubChem CID 170578064) has the molecular formula C8H18F2N2 and a molecular weight of 180.24 g/mol. Its IUPAC name is 3,3-difluoro-4-methylpiperidin-1-amine;ethane.

Molecular Properties

Compound Name3,3-difluoro-4-methylpiperidin-1-amine;ethane
PubChem CID170578064
Molecular FormulaC8H18F2N2
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Name3,3-difluoro-4-methylpiperidin-1-amine;ethane
SMILESCC.CC1CCN(N)CC1(F)F
InChIInChI=1S/C6H12F2N2.C2H6/c1-5-2-3-10(9)4-6(5,7)8;1-2/h5H,2-4,9H2,1H3;1-2H3
InChIKeySHBZXGQEWHPATC-UHFFFAOYSA-N
XLogP1.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methylpiperidin-1-amine;ethane?
The IUPAC name of 3,3-difluoro-4-methylpiperidin-1-amine;ethane (CID 170578064) is 3,3-difluoro-4-methylpiperidin-1-amine;ethane.
What is the SMILES notation for 3,3-difluoro-4-methylpiperidin-1-amine;ethane?
The canonical SMILES for 3,3-difluoro-4-methylpiperidin-1-amine;ethane is CC.CC1CCN(N)CC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methylpiperidin-1-amine;ethane?
The InChIKey is SHBZXGQEWHPATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2.C2H6/c1-5-2-3-10(9)4-6(5,7)8;1-2/h5H,2-4,9H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-4-methylpiperidin-1-amine;ethane?
3,3-difluoro-4-methylpiperidin-1-amine;ethane has a molecular weight of 180.24 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methylpiperidin-1-amine;ethane is sourced from PubChem (CID 170578064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).