3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine

C7H4F3N — CID 174741615

IUPAC3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine
SMILESNc1c2cc(C(F)(F)F)cc1-2
InChIInChI=1S/C7H4F3N/c8-7(9,10)3-1-4-5(2-3)6(4)11/h1-2H,11H2
InChIKeyZYOFXWGWFHEYFH-UHFFFAOYSA-N
MW159.11 g/mol
LogP2.27
Rot. Bonds

About 3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine

3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine (PubChem CID 174741615) has the molecular formula C7H4F3N and a molecular weight of 159.11 g/mol. Its IUPAC name is 3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine
PubChem CID174741615
Molecular FormulaC7H4F3N
Molecular Weight159.11 g/mol
Exact Mass159.03
IUPAC Name3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine
SMILESNc1c2cc(C(F)(F)F)cc1-2
InChIInChI=1S/C7H4F3N/c8-7(9,10)3-1-4-5(2-3)6(4)11/h1-2H,11H2
InChIKeyZYOFXWGWFHEYFH-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.11
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-(trifluoromethyl)aniline;methane
CID 160577208
2,3-diamino-5-(trifluoromethyl)phenol
CID 142974486
3-[2-[3-amino-5-(trifluoromethyl)phenyl]-1,1,2,2-tetrafluoroethyl]-5-(trifluoromethyl)aniline
CID 23368887
2-chloro-4,6-bis(trifluoromethyl)aniline
CID 21396780
2,4,6-tris[[3,5-bis(trifluoromethyl)phenyl]sulfanyl]aniline
CID 139901897
2-methoxy-6-methyl-4-(trifluoromethyl)aniline
CID 131484039
[3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane
CID 157423256
O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine
CID 88700648
2-chloro-3,5-bis(trifluoromethyl)aniline
CID 2757429
1-[2-amino-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 131296470
2-amino-3-methyl-5-(trifluoromethyl)benzoic acid
CID 122548214
[2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol
CID 119020502

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine?
The IUPAC name of 3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine (CID 174741615) is 3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine.
What is the SMILES notation for 3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine?
The canonical SMILES for 3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine is Nc1c2cc(C(F)(F)F)cc1-2.
What is the InChIKey of 3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine?
The InChIKey is ZYOFXWGWFHEYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N/c8-7(9,10)3-1-4-5(2-3)6(4)11/h1-2H,11H2.
What are the key properties of 3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine?
3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine has a molecular weight of 159.11 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine is sourced from PubChem (CID 174741615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).