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

C14H10BrF4N — CID 106645279

IUPAC(3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1cccc(Br)c1F
InChIInChI=1S/C14H10BrF4N/c15-11-6-2-5-10(12(11)16)13(20)8-3-1-4-9(7-8)14(17,18)19/h1-7,13H,20H2
InChIKeyORIZEVNCUVSKGT-UHFFFAOYSA-N
MW348.14 g/mol
LogP4.66
Rot. Bonds2

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

(3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 106645279) has the molecular formula C14H10BrF4N and a molecular weight of 348.14 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID106645279
Molecular FormulaC14H10BrF4N
Molecular Weight348.14 g/mol
Exact Mass346.99
IUPAC Name(3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1cccc(Br)c1F
InChIInChI=1S/C14H10BrF4N/c15-11-6-2-5-10(12(11)16)13(20)8-3-1-4-9(7-8)14(17,18)19/h1-7,13H,20H2
InChIKeyORIZEVNCUVSKGT-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-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139
(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114886642
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 106648227
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770
(2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 105394656
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115566981
(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 106646192
(4-fluoro-3,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65299620
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine
CID 106647995

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine (CID 106645279) is (3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine is NC(c1cccc(C(F)(F)F)c1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ORIZEVNCUVSKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4N/c15-11-6-2-5-10(12(11)16)13(20)8-3-1-4-9(7-8)14(17,18)19/h1-7,13H,20H2.
What are the key properties of (3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
(3-bromo-2-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 (3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 106645279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).