3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine

C7H11F3N2 — CID 170557209

IUPAC3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine
SMILESNC(C(F)(F)F)C12CC(N)(C1)C2
InChIInChI=1S/C7H11F3N2/c8-7(9,10)4(11)5-1-6(12,2-5)3-5/h4H,1-3,11-12H2
InChIKeyVENQMVODMQPGMD-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.76
Rot. Bonds1

About 3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine

3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine (PubChem CID 170557209) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine
PubChem CID170557209
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine
SMILESNC(C(F)(F)F)C12CC(N)(C1)C2
InChIInChI=1S/C7H11F3N2/c8-7(9,10)4(11)5-1-6(12,2-5)3-5/h4H,1-3,11-12H2
InChIKeyVENQMVODMQPGMD-UHFFFAOYSA-N
XLogP0.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine (CID 170557209) is 3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine is NC(C(F)(F)F)C12CC(N)(C1)C2.
What is the InChIKey of 3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine?
The InChIKey is VENQMVODMQPGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c8-7(9,10)4(11)5-1-6(12,2-5)3-5/h4H,1-3,11-12H2.
What are the key properties of 3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine?
3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine has a molecular weight of 180.17 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 170557209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).