(3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine

C7H9F2N — CID 167722188

IUPAC(3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine
SMILESNC1C2C3C[C@H]1C(F)(F)C32
InChIInChI=1S/C7H9F2N/c8-7(9)3-1-2-4(5(2)7)6(3)10/h2-6H,1,10H2/t2?,3-,4?,5?,6?/m1/s1
InChIKeyWDTBRQCDOMYXSV-JNIHGJSFSA-N
MW145.15 g/mol
LogP0.84
Rot. Bonds

About (3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine

(3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine (PubChem CID 167722188) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine.

Molecular Properties

Compound Name(3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine
PubChem CID167722188
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine
SMILESNC1C2C3C[C@H]1C(F)(F)C32
InChIInChI=1S/C7H9F2N/c8-7(9)3-1-2-4(5(2)7)6(3)10/h2-6H,1,10H2/t2?,3-,4?,5?,6?/m1/s1
InChIKeyWDTBRQCDOMYXSV-JNIHGJSFSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine?
The IUPAC name of (3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine (CID 167722188) is (3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine.
What is the SMILES notation for (3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine?
The canonical SMILES for (3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine is NC1C2C3C[C@H]1C(F)(F)C32.
What is the InChIKey of (3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine?
The InChIKey is WDTBRQCDOMYXSV-JNIHGJSFSA-N. The full InChI is InChI=1S/C7H9F2N/c8-7(9)3-1-2-4(5(2)7)6(3)10/h2-6H,1,10H2/t2?,3-,4?,5?,6?/m1/s1.
What are the key properties of (3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine?
(3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine has a molecular weight of 145.15 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5,5-difluorotricyclo[2.2.1.02,6]heptan-3-amine is sourced from PubChem (CID 167722188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).