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

C13H11ClF2N2 — CID 66079324

IUPAC4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine
SMILESNc1cc(Cl)c(F)cc1NCc1ccccc1F
InChIInChI=1S/C13H11ClF2N2/c14-9-5-12(17)13(6-11(9)16)18-7-8-3-1-2-4-10(8)15/h1-6,18H,7,17H2
InChIKeyLWIOCZUMQRNVEO-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.81
Rot. Bonds3

About 4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine

4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine (PubChem CID 66079324) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine
PubChem CID66079324
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC Name4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine
SMILESNc1cc(Cl)c(F)cc1NCc1ccccc1F
InChIInChI=1S/C13H11ClF2N2/c14-9-5-12(17)13(6-11(9)16)18-7-8-3-1-2-4-10(8)15/h1-6,18H,7,17H2
InChIKeyLWIOCZUMQRNVEO-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.81
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

N-benzyl-4-chloroaniline
CID 76281
N-(4-Chlorophenyl)-4-methylbenzylamine
CID 292568
4-chloro-N1-phenylbenzene-1,2-diamine
CID 264999
5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one
CID 5276377
1-(4-Chlorophenyl)-4-(4-fluorobenzyl)piperazine
CID 2838239
5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazole-2-thione
CID 3002996
N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine
CID 118713805
3-chloro-8-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine
CID 137284323
1-(4-Chlorophenyl)-4-(2-fluorobenzyl)piperazine
CID 763171
o-Phenylenediamine, 4-chloro-N-(2-(diethylamino)ethyl)-
CID 379214
N-Alpha-(4-chlorophenyl)-N4,N4-dimethyltoluene-alpha,4-diamine
CID 292416
N-[(4-chlorophenyl)methyl]aniline
CID 10632581

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine (CID 66079324) is 4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine is Nc1cc(Cl)c(F)cc1NCc1ccccc1F.
What is the InChIKey of 4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine?
The InChIKey is LWIOCZUMQRNVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c14-9-5-12(17)13(6-11(9)16)18-7-8-3-1-2-4-10(8)15/h1-6,18H,7,17H2.
What are the key properties of 4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine?
4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine has a molecular weight of 268.69 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 66079324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).