(2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride

C9H16ClF2N — CID 155822026

IUPAC(2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride
SMILESCC1(CN)CC2(CC(F)(F)C2)C1.Cl
InChIInChI=1S/C9H15F2N.ClH/c1-7(6-12)2-8(3-7)4-9(10,11)5-8;/h2-6,12H2,1H3;1H
InChIKeyVNZLGVGWRWYKRI-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.58
Rot. Bonds1

About (2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride

(2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride (PubChem CID 155822026) has the molecular formula C9H16ClF2N and a molecular weight of 211.68 g/mol. Its IUPAC name is (2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride
PubChem CID155822026
Molecular FormulaC9H16ClF2N
Molecular Weight211.68 g/mol
Exact Mass211.09
IUPAC Name(2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride
SMILESCC1(CN)CC2(CC(F)(F)C2)C1.Cl
InChIInChI=1S/C9H15F2N.ClH/c1-7(6-12)2-8(3-7)4-9(10,11)5-8;/h2-6,12H2,1H3;1H
InChIKeyVNZLGVGWRWYKRI-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.68
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride?
The IUPAC name of (2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride (CID 155822026) is (2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride.
What is the SMILES notation for (2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride?
The canonical SMILES for (2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride is CC1(CN)CC2(CC(F)(F)C2)C1.Cl.
What is the InChIKey of (2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride?
The InChIKey is VNZLGVGWRWYKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N.ClH/c1-7(6-12)2-8(3-7)4-9(10,11)5-8;/h2-6,12H2,1H3;1H.
What are the key properties of (2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride?
(2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride has a molecular weight of 211.68 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanamine;hydrochloride is sourced from PubChem (CID 155822026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).