(6,6-difluorospiro[2.5]octan-2-yl)methanamine

C9H15F2N — CID 135393075

IUPAC(6,6-difluorospiro[2.5]octan-2-yl)methanamine
SMILESNCC1CC12CCC(F)(F)CC2
InChIInChI=1S/C9H15F2N/c10-9(11)3-1-8(2-4-9)5-7(8)6-12/h7H,1-6,12H2
InChIKeyXBKBMTHYDYEHOM-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.16
Rot. Bonds1

About (6,6-difluorospiro[2.5]octan-2-yl)methanamine

(6,6-difluorospiro[2.5]octan-2-yl)methanamine (PubChem CID 135393075) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (6,6-difluorospiro[2.5]octan-2-yl)methanamine.

Molecular Properties

Compound Name(6,6-difluorospiro[2.5]octan-2-yl)methanamine
PubChem CID135393075
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(6,6-difluorospiro[2.5]octan-2-yl)methanamine
SMILESNCC1CC12CCC(F)(F)CC2
InChIInChI=1S/C9H15F2N/c10-9(11)3-1-8(2-4-9)5-7(8)6-12/h7H,1-6,12H2
InChIKeyXBKBMTHYDYEHOM-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6,6-difluorospiro[2.5]octan-2-yl)methanamine?
The IUPAC name of (6,6-difluorospiro[2.5]octan-2-yl)methanamine (CID 135393075) is (6,6-difluorospiro[2.5]octan-2-yl)methanamine.
What is the SMILES notation for (6,6-difluorospiro[2.5]octan-2-yl)methanamine?
The canonical SMILES for (6,6-difluorospiro[2.5]octan-2-yl)methanamine is NCC1CC12CCC(F)(F)CC2.
What is the InChIKey of (6,6-difluorospiro[2.5]octan-2-yl)methanamine?
The InChIKey is XBKBMTHYDYEHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c10-9(11)3-1-8(2-4-9)5-7(8)6-12/h7H,1-6,12H2.
What are the key properties of (6,6-difluorospiro[2.5]octan-2-yl)methanamine?
(6,6-difluorospiro[2.5]octan-2-yl)methanamine has a molecular weight of 175.22 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-difluorospiro[2.5]octan-2-yl)methanamine is sourced from PubChem (CID 135393075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).