propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate

C10H11FN2O4 — CID 107812713

IUPACpropan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
SMILESCC(C)OC(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11FN2O4/c1-6(2)17-10(14)12-7-3-4-8(11)9(5-7)13(15)16/h3-6H,1-2H3,(H,12,14)
InChIKeyNSGLZGAYSHHCKY-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.69
Rot. Bonds3

About propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate

propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate (PubChem CID 107812713) has the molecular formula C10H11FN2O4 and a molecular weight of 242.21 g/mol. Its IUPAC name is propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
PubChem CID107812713
Molecular FormulaC10H11FN2O4
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Namepropan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
SMILESCC(C)OC(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11FN2O4/c1-6(2)17-10(14)12-7-3-4-8(11)9(5-7)13(15)16/h3-6H,1-2H3,(H,12,14)
InChIKeyNSGLZGAYSHHCKY-UHFFFAOYSA-N
XLogP2.69
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

propan-2-yl N-(4-bromo-3-nitrophenyl)carbamate
CID 116656691
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate
CID 79345647
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
CID 875669
[1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 46627597
4-fluoro-N-methoxy-3-nitroaniline
CID 154020303
2-(3,5-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 3381118
[1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 46790213
[(2S)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7798013

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate?
The IUPAC name of propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate (CID 107812713) is propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate?
The canonical SMILES for propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate is CC(C)OC(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate?
The InChIKey is NSGLZGAYSHHCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4/c1-6(2)17-10(14)12-7-3-4-8(11)9(5-7)13(15)16/h3-6H,1-2H3,(H,12,14).
What are the key properties of propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate?
propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate has a molecular weight of 242.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate is sourced from PubChem (CID 107812713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).