ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate

C10H15FN2O3 — CID 143021974

IUPACethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate
SMILESCC.COC(=O)Nc1ccc(F)c(NO)c1
InChIInChI=1S/C8H9FN2O3.C2H6/c1-14-8(12)10-5-2-3-6(9)7(4-5)11-13;1-2/h2-4,11,13H,1H3,(H,10,12);1-2H3
InChIKeyJQPPGWTUNADNEE-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.83
Rot. Bonds2

About ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate

ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate (PubChem CID 143021974) has the molecular formula C10H15FN2O3 and a molecular weight of 230.24 g/mol. Its IUPAC name is ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate.

Molecular Properties

Compound Nameethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate
PubChem CID143021974
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Nameethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate
SMILESCC.COC(=O)Nc1ccc(F)c(NO)c1
InChIInChI=1S/C8H9FN2O3.C2H6/c1-14-8(12)10-5-2-3-6(9)7(4-5)11-13;1-2/h2-4,11,13H,1H3,(H,10,12);1-2H3
InChIKeyJQPPGWTUNADNEE-UHFFFAOYSA-N
XLogP2.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(3-bromo-4-fluorophenyl)carbamate
CID 115661421
methyl N-(3-fluoro-4-hydroxyphenyl)carbamate
CID 64780328
methyl N-(5-chloro-2-fluorophenyl)carbamate
CID 110778567
methyl N-[5-(butylamino)-2-fluorophenyl]carbamate
CID 71922689
methyl N-(4-bromo-3-fluorophenyl)carbamate;molecular iodine
CID 159991921
methyl N-[4-(2,3,4-trifluoroanilino)phenyl]carbamate
CID 112990169
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
methyl N-[3,5-bis(methoxycarbonylamino)-2-methylphenyl]carbamate
CID 149435265
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396
methyl N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]carbamate
CID 104780900
tert-butyl N-[4-fluoro-3-[(4-methylsulfanylbenzoyl)amino]phenyl]carbamate
CID 78865639
tert-butyl N-[4-fluoro-3-(heptylamino)phenyl]carbamate
CID 107241007

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate?
The IUPAC name of ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate (CID 143021974) is ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate.
What is the SMILES notation for ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate?
The canonical SMILES for ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate is CC.COC(=O)Nc1ccc(F)c(NO)c1.
What is the InChIKey of ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate?
The InChIKey is JQPPGWTUNADNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3.C2H6/c1-14-8(12)10-5-2-3-6(9)7(4-5)11-13;1-2/h2-4,11,13H,1H3,(H,10,12);1-2H3.
What are the key properties of ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate?
ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate has a molecular weight of 230.24 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate is sourced from PubChem (CID 143021974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).