2,2-difluorospiro[3.3]heptan-6-amine

C7H11F2N — CID 54595506

IUPAC2,2-difluorospiro[3.3]heptan-6-amine
SMILESNC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C7H11F2N/c8-7(9)3-6(4-7)1-5(10)2-6/h5H,1-4,10H2
InChIKeyKNHIUDDGPFPSFP-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.52
Rot. Bonds

About 2,2-difluorospiro[3.3]heptan-6-amine

2,2-difluorospiro[3.3]heptan-6-amine (PubChem CID 54595506) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 2,2-difluorospiro[3.3]heptan-6-amine.

Molecular Properties

Compound Name2,2-difluorospiro[3.3]heptan-6-amine
PubChem CID54595506
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2,2-difluorospiro[3.3]heptan-6-amine
SMILESNC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C7H11F2N/c8-7(9)3-6(4-7)1-5(10)2-6/h5H,1-4,10H2
InChIKeyKNHIUDDGPFPSFP-UHFFFAOYSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorospiro[3.3]heptan-6-amine?
The IUPAC name of 2,2-difluorospiro[3.3]heptan-6-amine (CID 54595506) is 2,2-difluorospiro[3.3]heptan-6-amine.
What is the SMILES notation for 2,2-difluorospiro[3.3]heptan-6-amine?
The canonical SMILES for 2,2-difluorospiro[3.3]heptan-6-amine is NC1CC2(C1)CC(F)(F)C2.
What is the InChIKey of 2,2-difluorospiro[3.3]heptan-6-amine?
The InChIKey is KNHIUDDGPFPSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c8-7(9)3-6(4-7)1-5(10)2-6/h5H,1-4,10H2.
What are the key properties of 2,2-difluorospiro[3.3]heptan-6-amine?
2,2-difluorospiro[3.3]heptan-6-amine has a molecular weight of 147.17 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorospiro[3.3]heptan-6-amine is sourced from PubChem (CID 54595506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).