(4-fluorophenyl)methyl N-aminocarbamate

C8H9FN2O2 — CID 131187793

IUPAC(4-fluorophenyl)methyl N-aminocarbamate
SMILESNNC(=O)OCc1ccc(F)cc1
InChIInChI=1S/C8H9FN2O2/c9-7-3-1-6(2-4-7)5-13-8(12)11-10/h1-4H,5,10H2,(H,11,12)
InChIKeyMQAOFTUOUISRQX-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.93
Rot. Bonds2

About (4-fluorophenyl)methyl N-aminocarbamate

(4-fluorophenyl)methyl N-aminocarbamate (PubChem CID 131187793) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-aminocarbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-aminocarbamate
PubChem CID131187793
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name(4-fluorophenyl)methyl N-aminocarbamate
SMILESNNC(=O)OCc1ccc(F)cc1
InChIInChI=1S/C8H9FN2O2/c9-7-3-1-6(2-4-7)5-13-8(12)11-10/h1-4H,5,10H2,(H,11,12)
InChIKeyMQAOFTUOUISRQX-UHFFFAOYSA-N
XLogP0.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)methyl N-aminocarbamate
CID 13494891
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
(4-fluorophenyl)methyl acetate
CID 14793785
(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 23366848
(4-fluorophenyl)methyl (2R)-2-aminopropanoate
CID 94254370
pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate
CID 21001
benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 101435256
benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 85273603
(4-fluorophenyl)methyl 4-amino-3-methylbenzoate
CID 61322774
(4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate
CID 57047709
4-fluorobenzohydrazide
CID 9972
(4-fluorophenyl)methyl 4-amino-3-fluorobenzoate
CID 62682624

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-aminocarbamate?
The IUPAC name of (4-fluorophenyl)methyl N-aminocarbamate (CID 131187793) is (4-fluorophenyl)methyl N-aminocarbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-aminocarbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-aminocarbamate is NNC(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl N-aminocarbamate?
The InChIKey is MQAOFTUOUISRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-7-3-1-6(2-4-7)5-13-8(12)11-10/h1-4H,5,10H2,(H,11,12).
What are the key properties of (4-fluorophenyl)methyl N-aminocarbamate?
(4-fluorophenyl)methyl N-aminocarbamate has a molecular weight of 184.17 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-aminocarbamate is sourced from PubChem (CID 131187793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).