[3-bromo-5-(trifluoromethyl)phenyl]methanamine

C8H7BrF3N — CID 53414438

IUPAC[3-bromo-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C8H7BrF3N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H,4,13H2
InChIKeyDYFSALRUMZSKBU-UHFFFAOYSA-N
MW254.05 g/mol
LogP2.93
Rot. Bonds1

About [3-bromo-5-(trifluoromethyl)phenyl]methanamine

[3-bromo-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 53414438) has the molecular formula C8H7BrF3N and a molecular weight of 254.05 g/mol. Its IUPAC name is [3-bromo-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-(trifluoromethyl)phenyl]methanamine
PubChem CID53414438
Molecular FormulaC8H7BrF3N
Molecular Weight254.05 g/mol
Exact Mass252.97
IUPAC Name[3-bromo-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C8H7BrF3N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H,4,13H2
InChIKeyDYFSALRUMZSKBU-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.05
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [3-bromo-5-(trifluoromethyl)phenyl]methanamine (CID 53414438) is [3-bromo-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [3-bromo-5-(trifluoromethyl)phenyl]methanamine is NCc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of [3-bromo-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DYFSALRUMZSKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H,4,13H2.
What are the key properties of [3-bromo-5-(trifluoromethyl)phenyl]methanamine?
[3-bromo-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 254.05 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 53414438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).