(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine

C14H10BrF4NO — CID 82790039

IUPAC(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)(F)F)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrF4NO/c15-11-7-9(4-5-12(11)16)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13H,20H2
InChIKeyBUZWQDCYDMAPQL-UHFFFAOYSA-N
MW364.14 g/mol
LogP4.53
Rot. Bonds3

About (3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine

(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 82790039) has the molecular formula C14H10BrF4NO and a molecular weight of 364.14 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID82790039
Molecular FormulaC14H10BrF4NO
Molecular Weight364.14 g/mol
Exact Mass362.99
IUPAC Name(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)(F)F)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrF4NO/c15-11-7-9(4-5-12(11)16)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13H,20H2
InChIKeyBUZWQDCYDMAPQL-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63895294
(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79747415
(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916544
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 63672562
(S)-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242513
(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241669
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 115854014
(2,5-dibromothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107968244
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
CID 171247817
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
CID 55132689
(3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115566361

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine (CID 82790039) is (3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine is NC(c1cccc(OC(F)(F)F)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is BUZWQDCYDMAPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4NO/c15-11-7-9(4-5-12(11)16)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13H,20H2.
What are the key properties of (3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 364.14 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 82790039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).