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N1-cyclopropyl-6-fluorobenzene-1,2-diamine

HCID 58459112
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1cccc(F)c1NC1CC1
InChIKey
NQDHIXGIFGIDKK-UHFFFAOYSA-N
Molecular formula
C9H11FN2
Average molar mass
166.2 g/mol
Monoisotopic mass
166.09062652

Names & identifiers

Preferred name
N1-cyclopropyl-6-fluorobenzene-1,2-diamine
IUPAC
2-N-cyclopropyl-3-fluorobenzene-1,2-diamine

Names & synonyms

SCHEMBL2509278NQDHIXGIFGIDKK-UHFFFAOYSA-NN1-cyclopropyl-6-fluorobenzene-1,2-diamine

Database identifiers

PubChem CID
58459112

Properties

Computed structural propertiesFilling in

XLogP
1.9
Topological polar surface area
38.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
159

Related reactions

3 records
New reaction record
HRID 1142436 reaction equation
HRID 1142436As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2036592 reaction equation
HRID 2036592As productuspto-grants-2013_11
HRID 2036593 reaction equation
HRID 2036593As reactantuspto-grants-2013_11

Compound notes

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