methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene

C8H8F3N — CID 174785014

IUPACmethanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene
SMILESCN.FC(F)(F)c1cc2ccc1-2
InChIInChI=1S/C7H3F3.CH5N/c8-7(9,10)6-3-4-1-2-5(4)6;1-2/h1-3H;2H2,1H3
InChIKeyCOCZDUKVHBMUMG-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.26
Rot. Bonds

About methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene

methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 174785014) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Namemethanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID174785014
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Namemethanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene
SMILESCN.FC(F)(F)c1cc2ccc1-2
InChIInChI=1S/C7H3F3.CH5N/c8-7(9,10)6-3-4-1-2-5(4)6;1-2/h1-3H;2H2,1H3
InChIKeyCOCZDUKVHBMUMG-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene (CID 174785014) is methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene is CN.FC(F)(F)c1cc2ccc1-2.
What is the InChIKey of methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is COCZDUKVHBMUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3.CH5N/c8-7(9,10)6-3-4-1-2-5(4)6;1-2/h1-3H;2H2,1H3.
What are the key properties of methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene?
methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 175.15 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 174785014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).