(2-amino-5-fluorophenyl)methylcarbamic acid

C8H9FN2O2 — CID 69348324

IUPAC(2-amino-5-fluorophenyl)methylcarbamic acid
SMILESNc1ccc(F)cc1CNC(=O)O
InChIInChI=1S/C8H9FN2O2/c9-6-1-2-7(10)5(3-6)4-11-8(12)13/h1-3,11H,4,10H2,(H,12,13)
InChIKeyNMLPNBDOSQZGQC-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.18
Rot. Bonds2

About (2-amino-5-fluorophenyl)methylcarbamic acid

(2-amino-5-fluorophenyl)methylcarbamic acid (PubChem CID 69348324) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)methylcarbamic acid.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)methylcarbamic acid
PubChem CID69348324
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name(2-amino-5-fluorophenyl)methylcarbamic acid
SMILESNc1ccc(F)cc1CNC(=O)O
InChIInChI=1S/C8H9FN2O2/c9-6-1-2-7(10)5(3-6)4-11-8(12)13/h1-3,11H,4,10H2,(H,12,13)
InChIKeyNMLPNBDOSQZGQC-UHFFFAOYSA-N
XLogP1.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.18
H-Bond Donors ≤ 53
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 (2-amino-5-fluorophenyl)methylcarbamic acid?
The IUPAC name of (2-amino-5-fluorophenyl)methylcarbamic acid (CID 69348324) is (2-amino-5-fluorophenyl)methylcarbamic acid.
What is the SMILES notation for (2-amino-5-fluorophenyl)methylcarbamic acid?
The canonical SMILES for (2-amino-5-fluorophenyl)methylcarbamic acid is Nc1ccc(F)cc1CNC(=O)O.
What is the InChIKey of (2-amino-5-fluorophenyl)methylcarbamic acid?
The InChIKey is NMLPNBDOSQZGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-6-1-2-7(10)5(3-6)4-11-8(12)13/h1-3,11H,4,10H2,(H,12,13).
What are the key properties of (2-amino-5-fluorophenyl)methylcarbamic acid?
(2-amino-5-fluorophenyl)methylcarbamic acid has a molecular weight of 184.17 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)methylcarbamic acid is sourced from PubChem (CID 69348324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).