1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine

C9H9FN2O2 — CID 130160401

IUPAC1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine
SMILESNC1(c2cc(F)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C9H9FN2O2/c10-6-1-2-8(12(13)14)7(5-6)9(11)3-4-9/h1-2,5H,3-4,11H2
InChIKeyKIHSHBLOKPLORJ-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.68
Rot. Bonds2

About 1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine

1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine (PubChem CID 130160401) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is 1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine
PubChem CID130160401
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine
SMILESNC1(c2cc(F)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C9H9FN2O2/c10-6-1-2-8(12(13)14)7(5-6)9(11)3-4-9/h1-2,5H,3-4,11H2
InChIKeyKIHSHBLOKPLORJ-UHFFFAOYSA-N
XLogP1.68
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine
CID 130545851
1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine
CID 130545850
1-(2-nitrophenyl)cyclopropan-1-amine
CID 55253196
1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine
CID 65020301
1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutan-1-amine
CID 65196630
[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine
CID 65394864
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline
CID 63887235
1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine
CID 64573109
1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine
CID 83412153
1-(7-fluoronaphthalen-1-yl)cyclopropan-1-amine
CID 105453517
(1S)-2,2-difluoro-1-(5-fluoro-2-nitrophenyl)ethanamine;hydrochloride
CID 171248349
4-fluoro-2-nitrobenzenediazonium
CID 10352853

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine (CID 130160401) is 1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine is NC1(c2cc(F)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine?
The InChIKey is KIHSHBLOKPLORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c10-6-1-2-8(12(13)14)7(5-6)9(11)3-4-9/h1-2,5H,3-4,11H2.
What are the key properties of 1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine?
1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine has a molecular weight of 196.18 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine is sourced from PubChem (CID 130160401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).