5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine

C13H12F2N2 — CID 60876320

IUPAC5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
SMILESNc1cc(F)cc(NCc2ccccc2F)c1
InChIInChI=1S/C13H12F2N2/c14-10-5-11(16)7-12(6-10)17-8-9-3-1-2-4-13(9)15/h1-7,17H,8,16H2
InChIKeyNRGGUEWCPQDJMN-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.16
Rot. Bonds3

About 5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine

5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine (PubChem CID 60876320) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
PubChem CID60876320
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
SMILESNc1cc(F)cc(NCc2ccccc2F)c1
InChIInChI=1S/C13H12F2N2/c14-10-5-11(16)7-12(6-10)17-8-9-3-1-2-4-13(9)15/h1-7,17H,8,16H2
InChIKeyNRGGUEWCPQDJMN-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-[(2-bromophenyl)methyl]-5-fluorobenzene-1,3-diamine
CID 61401610
3-N-[(2-chlorophenyl)methyl]-5-fluorobenzene-1,3-diamine
CID 60875169
4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine
CID 106750257
3,5-difluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine
CID 115506482
5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
CID 60876890
N-[(2-fluorophenyl)methyl]-3-iodoaniline
CID 28879188
3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053885
5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 61285074
3-N-[(2,4-difluorophenyl)methyl]-5-ethoxybenzene-1,3-diamine
CID 80739312
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060042

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine?
The IUPAC name of 5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine (CID 60876320) is 5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine?
The canonical SMILES for 5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine is Nc1cc(F)cc(NCc2ccccc2F)c1.
What is the InChIKey of 5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine?
The InChIKey is NRGGUEWCPQDJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c14-10-5-11(16)7-12(6-10)17-8-9-3-1-2-4-13(9)15/h1-7,17H,8,16H2.
What are the key properties of 5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine?
5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine has a molecular weight of 234.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 60876320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).