2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline

C14H10BrF4NO — CID 107633358

IUPAC2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
SMILESFc1ccc(Br)c(NCc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H10BrF4NO/c15-12-5-4-10(16)7-13(12)20-8-9-2-1-3-11(6-9)21-14(17,18)19/h1-7,20H,8H2
InChIKeySRPHIAKEIMZHPL-UHFFFAOYSA-N
MW364.14 g/mol
LogP5.10
Rot. Bonds4

About 2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline

2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline (PubChem CID 107633358) has the molecular formula C14H10BrF4NO and a molecular weight of 364.14 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
PubChem CID107633358
Molecular FormulaC14H10BrF4NO
Molecular Weight364.14 g/mol
Exact Mass362.99
IUPAC Name2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
SMILESFc1ccc(Br)c(NCc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H10BrF4NO/c15-12-5-4-10(16)7-13(12)20-8-9-2-1-3-11(6-9)21-14(17,18)19/h1-7,20H,8H2
InChIKeySRPHIAKEIMZHPL-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.14
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 103826024
2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline
CID 11002165
2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104398
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104393
2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 107633013
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine
CID 103700140
5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 103824040
2,5-dibromo-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 63446018
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline
CID 107632927

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
The IUPAC name of 2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline (CID 107633358) is 2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline is Fc1ccc(Br)c(NCc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
The InChIKey is SRPHIAKEIMZHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4NO/c15-12-5-4-10(16)7-13(12)20-8-9-2-1-3-11(6-9)21-14(17,18)19/h1-7,20H,8H2.
What are the key properties of 2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline has a molecular weight of 364.14 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 107633358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).