(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine

C9H18F2N2 — CID 176992293

IUPAC(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine
SMILESCC(C)C1NC(CN)CCC1(F)F
InChIInChI=1S/C9H18F2N2/c1-6(2)8-9(10,11)4-3-7(5-12)13-8/h6-8,13H,3-5,12H2,1-2H3
InChIKeyYSIBBDWERFWFJG-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.36
Rot. Bonds2

About (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine

(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine (PubChem CID 176992293) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine
PubChem CID176992293
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine
SMILESCC(C)C1NC(CN)CCC1(F)F
InChIInChI=1S/C9H18F2N2/c1-6(2)8-9(10,11)4-3-7(5-12)13-8/h6-8,13H,3-5,12H2,1-2H3
InChIKeyYSIBBDWERFWFJG-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine?
The IUPAC name of (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine (CID 176992293) is (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine.
What is the SMILES notation for (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine?
The canonical SMILES for (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine is CC(C)C1NC(CN)CCC1(F)F.
What is the InChIKey of (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine?
The InChIKey is YSIBBDWERFWFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-6(2)8-9(10,11)4-3-7(5-12)13-8/h6-8,13H,3-5,12H2,1-2H3.
What are the key properties of (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine?
(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine has a molecular weight of 192.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanamine is sourced from PubChem (CID 176992293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).