[4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine

C12H9BrF3NO — CID 63949203

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine
SMILESNC(c1ccoc1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H9BrF3NO/c13-8-1-2-9(10(5-8)12(14,15)16)11(17)7-3-4-18-6-7/h1-6,11H,17H2
InChIKeyYDKPAKGKVISURC-UHFFFAOYSA-N
MW320.11 g/mol
LogP4.11
Rot. Bonds2

About [4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine

[4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine (PubChem CID 63949203) has the molecular formula C12H9BrF3NO and a molecular weight of 320.11 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine
PubChem CID63949203
Molecular FormulaC12H9BrF3NO
Molecular Weight320.11 g/mol
Exact Mass318.98
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine
SMILESNC(c1ccoc1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H9BrF3NO/c13-8-1-2-9(10(5-8)12(14,15)16)11(17)7-3-4-18-6-7/h1-6,11H,17H2
InChIKeyYDKPAKGKVISURC-UHFFFAOYSA-N
XLogP4.11
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Furan-3-yl)(phenyl)methanamine hydrochloride
CID 137966059
[5-[4-Bromo-2,6-bis(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 126602269
N-[(5-bromo-2-fluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43182362
N-[(3-bromo-4-fluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43182415
N-[(4-bromo-2-fluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43242852
N-[(4-bromo-2-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432896
N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432898
N-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432912
Furan-3-yl(phenyl)methanamine
CID 43463914
(4-Fluorophenyl)-(furan-3-yl)methanamine
CID 43463926
(4-Fluorophenyl)-(2-methylfuran-3-yl)methanamine
CID 43463933
(3,4-Difluorophenyl)-(furan-3-yl)methanamine
CID 43464166

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine (CID 63949203) is [4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine is NC(c1ccoc1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine?
The InChIKey is YDKPAKGKVISURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3NO/c13-8-1-2-9(10(5-8)12(14,15)16)11(17)7-3-4-18-6-7/h1-6,11H,17H2.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine?
[4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine has a molecular weight of 320.11 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]-(furan-3-yl)methanamine is sourced from PubChem (CID 63949203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).