4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine

C8H12F3N — CID 166645673

IUPAC4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine
SMILESNC1CC(C(F)(F)F)C2CC1C2
InChIInChI=1S/C8H12F3N/c9-8(10,11)6-3-7(12)5-1-4(6)2-5/h4-7H,1-3,12H2
InChIKeyWUYTVDJHQBROEK-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.92
Rot. Bonds

About 4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine

4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine (PubChem CID 166645673) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine
PubChem CID166645673
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine
SMILESNC1CC(C(F)(F)F)C2CC1C2
InChIInChI=1S/C8H12F3N/c9-8(10,11)6-3-7(12)5-1-4(6)2-5/h4-7H,1-3,12H2
InChIKeyWUYTVDJHQBROEK-UHFFFAOYSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine?
The IUPAC name of 4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine (CID 166645673) is 4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine?
The canonical SMILES for 4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine is NC1CC(C(F)(F)F)C2CC1C2.
What is the InChIKey of 4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine?
The InChIKey is WUYTVDJHQBROEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)6-3-7(12)5-1-4(6)2-5/h4-7H,1-3,12H2.
What are the key properties of 4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine?
4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine has a molecular weight of 179.19 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine is sourced from PubChem (CID 166645673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).