7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine

C9H14F3N — CID 79331490

IUPAC7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine
SMILESNC1(CC(F)(F)F)C2CCCCC21
InChIInChI=1S/C9H14F3N/c10-9(11,12)5-8(13)6-3-1-2-4-7(6)8/h6-7H,1-5,13H2
InChIKeyWCYSWOGPVJLGBJ-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.46
Rot. Bonds1

About 7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine

7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine (PubChem CID 79331490) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine.

Molecular Properties

Compound Name7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine
PubChem CID79331490
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine
SMILESNC1(CC(F)(F)F)C2CCCCC21
InChIInChI=1S/C9H14F3N/c10-9(11,12)5-8(13)6-3-1-2-4-7(6)8/h6-7H,1-5,13H2
InChIKeyWCYSWOGPVJLGBJ-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine?
The IUPAC name of 7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine (CID 79331490) is 7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine.
What is the SMILES notation for 7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine?
The canonical SMILES for 7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine is NC1(CC(F)(F)F)C2CCCCC21.
What is the InChIKey of 7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine?
The InChIKey is WCYSWOGPVJLGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)5-8(13)6-3-1-2-4-7(6)8/h6-7H,1-5,13H2.
What are the key properties of 7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine?
7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine has a molecular weight of 193.21 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine is sourced from PubChem (CID 79331490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).