(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine

C14H10BrF4N — CID 114886642

IUPAC(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1c(F)cccc1Br
InChIInChI=1S/C14H10BrF4N/c15-10-5-2-6-11(16)12(10)13(20)8-3-1-4-9(7-8)14(17,18)19/h1-7,13H,20H2
InChIKeyIHFDTVURCSBPMU-UHFFFAOYSA-N
MW348.14 g/mol
LogP4.66
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine

(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 114886642) has the molecular formula C14H10BrF4N and a molecular weight of 348.14 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID114886642
Molecular FormulaC14H10BrF4N
Molecular Weight348.14 g/mol
Exact Mass346.99
IUPAC Name(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1c(F)cccc1Br
InChIInChI=1S/C14H10BrF4N/c15-10-5-2-6-11(16)12(10)13(20)8-3-1-4-9(7-8)14(17,18)19/h1-7,13H,20H2
InChIKeyIHFDTVURCSBPMU-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289435
(3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 106645279
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139
(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine
CID 114559070
(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 114886872
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115566981
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 114558834
1-(2-bromo-6-fluorophenyl)-2,2,2-trifluoroethanamine
CID 77127823

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine (CID 114886642) is (2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine is NC(c1cccc(C(F)(F)F)c1)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is IHFDTVURCSBPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4N/c15-10-5-2-6-11(16)12(10)13(20)8-3-1-4-9(7-8)14(17,18)19/h1-7,13H,20H2.
What are the key properties of (2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 348.14 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 114886642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).