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

C14H9BrF5N — CID 107633013

IUPAC2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(CNc2cc(F)ccc2Br)cc(C(F)(F)F)c1
InChIInChI=1S/C14H9BrF5N/c15-12-2-1-10(16)6-13(12)21-7-8-3-9(14(18,19)20)5-11(17)4-8/h1-6,21H,7H2
InChIKeyHPZJAKAUUKZDGZ-UHFFFAOYSA-N
MW366.13 g/mol
LogP5.36
Rot. Bonds3

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

2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 107633013) has the molecular formula C14H9BrF5N and a molecular weight of 366.13 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID107633013
Molecular FormulaC14H9BrF5N
Molecular Weight366.13 g/mol
Exact Mass364.98
IUPAC Name2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(CNc2cc(F)ccc2Br)cc(C(F)(F)F)c1
InChIInChI=1S/C14H9BrF5N/c15-12-2-1-10(16)6-13(12)21-7-8-3-9(14(18,19)20)5-11(17)4-8/h1-6,21H,7H2
InChIKeyHPZJAKAUUKZDGZ-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.13
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]thiourea
CID 3309595
3-[(2-bromo-5-fluoroanilino)methyl]-5-fluorobenzonitrile
CID 107636086
3-bromo-4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 115350701
3-bromo-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 115350222
2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline
CID 115350292
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline
CID 115350196
2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43736693
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline
CID 107632927
2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107633358
4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 83166741
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline
CID 105403175

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline (CID 107633013) is 2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline is Fc1cc(CNc2cc(F)ccc2Br)cc(C(F)(F)F)c1.
What is the InChIKey of 2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is HPZJAKAUUKZDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF5N/c15-12-2-1-10(16)6-13(12)21-7-8-3-9(14(18,19)20)5-11(17)4-8/h1-6,21H,7H2.
What are the key properties of 2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline?
2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 366.13 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 107633013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).