3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine

C7H9F2N — CID 170915230

IUPAC3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine
SMILESNC12CC3CC1C2C3(F)F
InChIInChI=1S/C7H9F2N/c8-7(9)3-1-4-5(7)6(4,10)2-3/h3-5H,1-2,10H2
InChIKeySPEFIQUSHAXHNK-UHFFFAOYSA-N
MW145.15 g/mol
LogP0.99
Rot. Bonds

About 3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine

3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine (PubChem CID 170915230) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine.

Molecular Properties

Compound Name3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine
PubChem CID170915230
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine
SMILESNC12CC3CC1C2C3(F)F
InChIInChI=1S/C7H9F2N/c8-7(9)3-1-4-5(7)6(4,10)2-3/h3-5H,1-2,10H2
InChIKeySPEFIQUSHAXHNK-UHFFFAOYSA-N
XLogP0.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine?
The IUPAC name of 3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine (CID 170915230) is 3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine.
What is the SMILES notation for 3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine?
The canonical SMILES for 3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine is NC12CC3CC1C2C3(F)F.
What is the InChIKey of 3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine?
The InChIKey is SPEFIQUSHAXHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c8-7(9)3-1-4-5(7)6(4,10)2-3/h3-5H,1-2,10H2.
What are the key properties of 3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine?
3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine has a molecular weight of 145.15 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine is sourced from PubChem (CID 170915230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).