carbon dioxide;4-ethyl-3-fluoroaniline

C9H10FNO2 — CID 158926193

IUPACcarbon dioxide;4-ethyl-3-fluoroaniline
SMILESCCc1ccc(N)cc1F.O=C=O
InChIInChI=1S/C8H10FN.CO2/c1-2-6-3-4-7(10)5-8(6)9;2-1-3/h3-5H,2,10H2,1H3;
InChIKeyJILXACTXJCHJRO-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.39
Rot. Bonds1

About carbon dioxide;4-ethyl-3-fluoroaniline

carbon dioxide;4-ethyl-3-fluoroaniline (PubChem CID 158926193) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is carbon dioxide;4-ethyl-3-fluoroaniline.

Molecular Properties

Compound Namecarbon dioxide;4-ethyl-3-fluoroaniline
PubChem CID158926193
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Namecarbon dioxide;4-ethyl-3-fluoroaniline
SMILESCCc1ccc(N)cc1F.O=C=O
InChIInChI=1S/C8H10FN.CO2/c1-2-6-3-4-7(10)5-8(6)9;2-1-3/h3-5H,2,10H2,1H3;
InChIKeyJILXACTXJCHJRO-UHFFFAOYSA-N
XLogP1.39
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-dimethylpropyl)-3-fluoroaniline
CID 121316201
3-fluoro-4-[[methyl(propyl)amino]methyl]aniline
CID 64768064
3-fluoro-4-(iodomethyl)aniline
CID 91883075
4-amino-2-fluorophenol;carbon dioxide
CID 160625037
3-fluoro-4-(propylaminomethyl)aniline
CID 107796533
4-[[ethyl(prop-2-ynyl)amino]methyl]-3-fluoroaniline
CID 107796737
4-(butan-2-yloxymethyl)-3-fluoroaniline
CID 64768893
4-[[butan-2-yl(methyl)amino]methyl]-3-fluoroaniline
CID 64768257
5-amino-2-ethylbenzenethiol
CID 13245129
1-[(4-amino-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329706
4-[(3,5-diethylpyrazol-1-yl)methyl]-3-fluoroaniline
CID 82692094
1-[(4-amino-2-fluorophenyl)methyl]-4-ethylpiperazine-2,5-dione
CID 79936115

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-ethyl-3-fluoroaniline?
The IUPAC name of carbon dioxide;4-ethyl-3-fluoroaniline (CID 158926193) is carbon dioxide;4-ethyl-3-fluoroaniline.
What is the SMILES notation for carbon dioxide;4-ethyl-3-fluoroaniline?
The canonical SMILES for carbon dioxide;4-ethyl-3-fluoroaniline is CCc1ccc(N)cc1F.O=C=O.
What is the InChIKey of carbon dioxide;4-ethyl-3-fluoroaniline?
The InChIKey is JILXACTXJCHJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN.CO2/c1-2-6-3-4-7(10)5-8(6)9;2-1-3/h3-5H,2,10H2,1H3;.
What are the key properties of carbon dioxide;4-ethyl-3-fluoroaniline?
carbon dioxide;4-ethyl-3-fluoroaniline has a molecular weight of 183.18 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-ethyl-3-fluoroaniline is sourced from PubChem (CID 158926193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).