4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine

C10H12ClFN2 — CID 67320692

IUPAC4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine
SMILESCN(c1cc(Cl)c(F)cc1N)C1CC1
InChIInChI=1S/C10H12ClFN2/c1-14(6-2-3-6)10-4-7(11)8(12)5-9(10)13/h4-6H,2-3,13H2,1H3
InChIKeyYYWPFODUHCHBLL-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.66
Rot. Bonds2

About 4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine

4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine (PubChem CID 67320692) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is 4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine
PubChem CID67320692
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine
SMILESCN(c1cc(Cl)c(F)cc1N)C1CC1
InChIInChI=1S/C10H12ClFN2/c1-14(6-2-3-6)10-4-7(11)8(12)5-9(10)13/h4-6H,2-3,13H2,1H3
InChIKeyYYWPFODUHCHBLL-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine (CID 67320692) is 4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine is CN(c1cc(Cl)c(F)cc1N)C1CC1.
What is the InChIKey of 4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine?
The InChIKey is YYWPFODUHCHBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2/c1-14(6-2-3-6)10-4-7(11)8(12)5-9(10)13/h4-6H,2-3,13H2,1H3.
What are the key properties of 4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine?
4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine has a molecular weight of 214.67 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-cyclopropyl-5-fluoro-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 67320692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).