(3-fluoro-2-nitrophenyl)methanamine;hydrochloride

C7H8ClFN2O2 — CID 131869126

IUPAC(3-fluoro-2-nitrophenyl)methanamine;hydrochloride
SMILESCl.NCc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C7H7FN2O2.ClH/c8-6-3-1-2-5(4-9)7(6)10(11)12;/h1-3H,4,9H2;1H
InChIKeyHBFMJMXQOWXGFM-UHFFFAOYSA-N
MW206.60 g/mol
LogP1.61
Rot. Bonds2

About (3-fluoro-2-nitrophenyl)methanamine;hydrochloride

(3-fluoro-2-nitrophenyl)methanamine;hydrochloride (PubChem CID 131869126) has the molecular formula C7H8ClFN2O2 and a molecular weight of 206.60 g/mol. Its IUPAC name is (3-fluoro-2-nitrophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-fluoro-2-nitrophenyl)methanamine;hydrochloride
PubChem CID131869126
Molecular FormulaC7H8ClFN2O2
Molecular Weight206.60 g/mol
Exact Mass206.03
IUPAC Name(3-fluoro-2-nitrophenyl)methanamine;hydrochloride
SMILESCl.NCc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C7H7FN2O2.ClH/c8-6-3-1-2-5(4-9)7(6)10(11)12;/h1-3H,4,9H2;1H
InChIKeyHBFMJMXQOWXGFM-UHFFFAOYSA-N
XLogP1.61
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.60
LogP ≤ 51.61
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

(3-chloro-2-nitrophenyl)methanamine;hydrochloride
CID 155970925
(3-fluoro-2-nitrophenyl)methanol
CID 57368636
1-bromo-3-(3-fluoro-2-nitrophenyl)propan-2-one
CID 134616625
(3-fluoro-4-methyl-2-nitrophenyl)methanamine
CID 130968438
ethanamine;1-fluoro-3-methyl-2-nitrobenzene;methane;1-methyl-2-nitro-3-propylbenzene;hydrochloride
CID 159821391
(2,3-difluorophenyl)methanamine
CID 2736941
2-N-(3-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 63733586
N,3-difluoro-2-nitroaniline
CID 87619715
2-fluoro-6-nitroaniline;hydrochloride
CID 169225840
4-(3-fluoro-2-nitrophenyl)but-3-enamide
CID 170798325
2-bromo-1-(3-fluoro-2-nitrophenyl)ethanone
CID 99770306
1-(chloromethyl)-2,4-difluoro-3-nitrobenzene
CID 67924530

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-nitrophenyl)methanamine;hydrochloride?
The IUPAC name of (3-fluoro-2-nitrophenyl)methanamine;hydrochloride (CID 131869126) is (3-fluoro-2-nitrophenyl)methanamine;hydrochloride.
What is the SMILES notation for (3-fluoro-2-nitrophenyl)methanamine;hydrochloride?
The canonical SMILES for (3-fluoro-2-nitrophenyl)methanamine;hydrochloride is Cl.NCc1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of (3-fluoro-2-nitrophenyl)methanamine;hydrochloride?
The InChIKey is HBFMJMXQOWXGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2.ClH/c8-6-3-1-2-5(4-9)7(6)10(11)12;/h1-3H,4,9H2;1H.
What are the key properties of (3-fluoro-2-nitrophenyl)methanamine;hydrochloride?
(3-fluoro-2-nitrophenyl)methanamine;hydrochloride has a molecular weight of 206.60 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-nitrophenyl)methanamine;hydrochloride is sourced from PubChem (CID 131869126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).