2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine

C10H17F2N — CID 20692082

IUPAC2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine
SMILESCC1(C)CC(N)CC2(C1)CC2(F)F
InChIInChI=1S/C10H17F2N/c1-8(2)3-7(13)4-9(5-8)6-10(9,11)12/h7H,3-6,13H2,1-2H3
InChIKeyCKFGXSYUFADRPR-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.55
Rot. Bonds

About 2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine

2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine (PubChem CID 20692082) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine.

Molecular Properties

Compound Name2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine
PubChem CID20692082
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine
SMILESCC1(C)CC(N)CC2(C1)CC2(F)F
InChIInChI=1S/C10H17F2N/c1-8(2)3-7(13)4-9(5-8)6-10(9,11)12/h7H,3-6,13H2,1-2H3
InChIKeyCKFGXSYUFADRPR-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine?
The IUPAC name of 2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine (CID 20692082) is 2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine.
What is the SMILES notation for 2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine?
The canonical SMILES for 2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine is CC1(C)CC(N)CC2(C1)CC2(F)F.
What is the InChIKey of 2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine?
The InChIKey is CKFGXSYUFADRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-8(2)3-7(13)4-9(5-8)6-10(9,11)12/h7H,3-6,13H2,1-2H3.
What are the key properties of 2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine?
2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine has a molecular weight of 189.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-7,7-dimethylspiro[2.5]octan-5-amine is sourced from PubChem (CID 20692082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).