(4-fluoro-2-methyl-3-nitrophenyl)carbamic acid

C8H7FN2O4 — CID 174969971

IUPAC(4-fluoro-2-methyl-3-nitrophenyl)carbamic acid
SMILESCc1c(NC(=O)O)ccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C8H7FN2O4/c1-4-6(10-8(12)13)3-2-5(9)7(4)11(14)15/h2-3,10H,1H3,(H,12,13)
InChIKeyMDPGVCZJRVGOIJ-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.13
Rot. Bonds2

About (4-fluoro-2-methyl-3-nitrophenyl)carbamic acid

(4-fluoro-2-methyl-3-nitrophenyl)carbamic acid (PubChem CID 174969971) has the molecular formula C8H7FN2O4 and a molecular weight of 214.15 g/mol. Its IUPAC name is (4-fluoro-2-methyl-3-nitrophenyl)carbamic acid.

Molecular Properties

Compound Name(4-fluoro-2-methyl-3-nitrophenyl)carbamic acid
PubChem CID174969971
Molecular FormulaC8H7FN2O4
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name(4-fluoro-2-methyl-3-nitrophenyl)carbamic acid
SMILESCc1c(NC(=O)O)ccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C8H7FN2O4/c1-4-6(10-8(12)13)3-2-5(9)7(4)11(14)15/h2-3,10H,1H3,(H,12,13)
InChIKeyMDPGVCZJRVGOIJ-UHFFFAOYSA-N
XLogP2.13
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.13
H-Bond Donors ≤ 52
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

4-fluoro-N,2-dimethyl-3-nitroaniline
CID 131053180
4-fluoro-3-methyl-2-nitrobenzoic acid
CID 53430691
(3-fluoro-4-formyl-2-nitrophenyl)carbamic acid
CID 155315355
4-fluoro-2-methyl-3-nitrobenzoyl chloride
CID 131056028
2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide
CID 15480130
N-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide
CID 10445595
2-bromo-1-(4-fluoro-2-methyl-3-nitrophenyl)ethanone
CID 118799232
(4-methylsulfonyl-2-nitrophenyl)carbamic acid
CID 155271572
2,5-difluoro-3-methyl-4-nitrobenzoic acid
CID 23284780
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
4-fluoro-3-methyl-2-nitrobenzamide
CID 131120224
1-(3,6-difluoro-2-nitrophenyl)ethanone
CID 130953642

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methyl-3-nitrophenyl)carbamic acid?
The IUPAC name of (4-fluoro-2-methyl-3-nitrophenyl)carbamic acid (CID 174969971) is (4-fluoro-2-methyl-3-nitrophenyl)carbamic acid.
What is the SMILES notation for (4-fluoro-2-methyl-3-nitrophenyl)carbamic acid?
The canonical SMILES for (4-fluoro-2-methyl-3-nitrophenyl)carbamic acid is Cc1c(NC(=O)O)ccc(F)c1[N+](=O)[O-].
What is the InChIKey of (4-fluoro-2-methyl-3-nitrophenyl)carbamic acid?
The InChIKey is MDPGVCZJRVGOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O4/c1-4-6(10-8(12)13)3-2-5(9)7(4)11(14)15/h2-3,10H,1H3,(H,12,13).
What are the key properties of (4-fluoro-2-methyl-3-nitrophenyl)carbamic acid?
(4-fluoro-2-methyl-3-nitrophenyl)carbamic acid has a molecular weight of 214.15 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methyl-3-nitrophenyl)carbamic acid is sourced from PubChem (CID 174969971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).