4-cyclopropyl-3-fluorobenzene-1,2-diamine

C9H11FN2 — CID 174232109

IUPAC4-cyclopropyl-3-fluorobenzene-1,2-diamine
SMILESNc1ccc(C2CC2)c(F)c1N
InChIInChI=1S/C9H11FN2/c10-8-6(5-1-2-5)3-4-7(11)9(8)12/h3-5H,1-2,11-12H2
InChIKeyPVFQQWWBUFOECR-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.87
Rot. Bonds1

About 4-cyclopropyl-3-fluorobenzene-1,2-diamine

4-cyclopropyl-3-fluorobenzene-1,2-diamine (PubChem CID 174232109) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 4-cyclopropyl-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-cyclopropyl-3-fluorobenzene-1,2-diamine
PubChem CID174232109
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name4-cyclopropyl-3-fluorobenzene-1,2-diamine
SMILESNc1ccc(C2CC2)c(F)c1N
InChIInChI=1S/C9H11FN2/c10-8-6(5-1-2-5)3-4-7(11)9(8)12/h3-5H,1-2,11-12H2
InChIKeyPVFQQWWBUFOECR-UHFFFAOYSA-N
XLogP1.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.87
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

4-(1,1-dioxothiolan-3-yl)-3-fluorobenzene-1,2-diamine
CID 175294684
2,6-difluoro-3-piperidin-4-ylaniline
CID 165455594
3-fluorobenzene-1,2,4-triamine
CID 89010456
2,6-dicyclopropylaniline
CID 129249080
3-chloro-2-fluoro-4-(4-methylcyclohexyl)aniline
CID 90936295
(3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid
CID 171781999
1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
CID 164913639
1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene
CID 90437136
2-cyclohexyl-4-fluoroaniline
CID 15335253
2-cyclohexyl-5-fluoroaniline
CID 19754670
2-bromo-6-cyclopropylaniline
CID 155970280

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-fluorobenzene-1,2-diamine?
The IUPAC name of 4-cyclopropyl-3-fluorobenzene-1,2-diamine (CID 174232109) is 4-cyclopropyl-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-cyclopropyl-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-cyclopropyl-3-fluorobenzene-1,2-diamine is Nc1ccc(C2CC2)c(F)c1N.
What is the InChIKey of 4-cyclopropyl-3-fluorobenzene-1,2-diamine?
The InChIKey is PVFQQWWBUFOECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c10-8-6(5-1-2-5)3-4-7(11)9(8)12/h3-5H,1-2,11-12H2.
What are the key properties of 4-cyclopropyl-3-fluorobenzene-1,2-diamine?
4-cyclopropyl-3-fluorobenzene-1,2-diamine has a molecular weight of 166.20 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 174232109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).