3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine

C12H9F3N2 — CID 43132793

IUPAC3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine
SMILESNc1cccc(Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C12H9F3N2/c13-9-4-5-10(12(15)11(9)14)17-8-3-1-2-7(16)6-8/h1-6,17H,16H2
InChIKeyJFLLISGJDGKLQT-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.43
Rot. Bonds2

About 3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine

3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine (PubChem CID 43132793) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine
PubChem CID43132793
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine
SMILESNc1cccc(Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C12H9F3N2/c13-9-4-5-10(12(15)11(9)14)17-8-3-1-2-7(16)6-8/h1-6,17H,16H2
InChIKeyJFLLISGJDGKLQT-UHFFFAOYSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-N-(4-chloro-2-fluorophenyl)benzene-1,3-diamine
CID 61469504
N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline
CID 82536183
4-methyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine
CID 62590138
3-N-(2-chloro-4-fluoro-5-methylphenyl)benzene-1,3-diamine
CID 112734728
3-N-(2-chloro-5-fluorophenyl)benzene-1,3-diamine
CID 107526846
N-(4-chlorophenyl)-2,3,4-trifluoroaniline
CID 82536911
N-(2,3,4-trifluorophenyl)pyridin-3-amine
CID 82537499
5-amino-2-(2,3,4-trifluoroanilino)benzonitrile
CID 61296352
1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 43256402
1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067140
3-N-[4-bromo-2-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 65484974
3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine
CID 112675515

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine (CID 43132793) is 3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine is Nc1cccc(Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine?
The InChIKey is JFLLISGJDGKLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c13-9-4-5-10(12(15)11(9)14)17-8-3-1-2-7(16)6-8/h1-6,17H,16H2.
What are the key properties of 3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine?
3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine has a molecular weight of 238.21 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine is sourced from PubChem (CID 43132793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).