2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine

C14H13F3N2 — CID 115125843

IUPAC2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
SMILESNc1cccc(F)c1NCCc1cc(F)ccc1F
InChIInChI=1S/C14H13F3N2/c15-10-4-5-11(16)9(8-10)6-7-19-14-12(17)2-1-3-13(14)18/h1-5,8,19H,6-7,18H2
InChIKeySDYUSQCFVWOCHG-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.34
Rot. Bonds4

About 2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine

2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine (PubChem CID 115125843) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
PubChem CID115125843
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
SMILESNc1cccc(F)c1NCCc1cc(F)ccc1F
InChIInChI=1S/C14H13F3N2/c15-10-4-5-11(16)9(8-10)6-7-19-14-12(17)2-1-3-13(14)18/h1-5,8,19H,6-7,18H2
InChIKeySDYUSQCFVWOCHG-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.34
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

2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 115126121
2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 112740496
2-N-[2-(4-ethylphenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125831
3-fluoro-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125852
3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125830
3-fluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 115125857
2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine
CID 131093444
N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 115195405
3-fluoro-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255758
2-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125840
2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine
CID 115124195
2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
CID 104831279

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine (CID 115125843) is 2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine is Nc1cccc(F)c1NCCc1cc(F)ccc1F.
What is the InChIKey of 2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine?
The InChIKey is SDYUSQCFVWOCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c15-10-4-5-11(16)9(8-10)6-7-19-14-12(17)2-1-3-13(14)18/h1-5,8,19H,6-7,18H2.
What are the key properties of 2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine?
2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine has a molecular weight of 266.27 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 115125843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).