3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline

C13H10ClF2N — CID 103773172

IUPAC3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C13H10ClF2N/c14-10-5-12(16)7-13(6-10)17-8-9-1-3-11(15)4-2-9/h1-7,17H,8H2
InChIKeyFWMCYJDBUIRBOC-UHFFFAOYSA-N
MW253.68 g/mol
LogP4.23
Rot. Bonds3

About 3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline

3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline (PubChem CID 103773172) has the molecular formula C13H10ClF2N and a molecular weight of 253.68 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
PubChem CID103773172
Molecular FormulaC13H10ClF2N
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C13H10ClF2N/c14-10-5-12(16)7-13(6-10)17-8-9-1-3-11(15)4-2-9/h1-7,17H,8H2
InChIKeyFWMCYJDBUIRBOC-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 116699138
3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363910
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline
CID 107364885
2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide
CID 103818405
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
CID 107363892
3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 105011735
3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363874
3-chloro-5-fluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107365473
4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 113285870
3-chloro-5-fluoro-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818393
3-chloro-5-fluoro-N-[(3-fluoro-5-nitrophenyl)methyl]aniline
CID 107364783

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline?
The IUPAC name of 3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline (CID 103773172) is 3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline is Fc1ccc(CNc2cc(F)cc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline?
The InChIKey is FWMCYJDBUIRBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N/c14-10-5-12(16)7-13(6-10)17-8-9-1-3-11(15)4-2-9/h1-7,17H,8H2.
What are the key properties of 3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline?
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline has a molecular weight of 253.68 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline is sourced from PubChem (CID 103773172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).