azane;1-ethyl-2-fluorobenzene

C8H12FN — CID 66657049

IUPACazane;1-ethyl-2-fluorobenzene
SMILESCCc1ccccc1F.N
InChIInChI=1S/C8H9F.H3N/c1-2-7-5-3-4-6-8(7)9;/h3-6H,2H2,1H3;1H3
InChIKeyKTPGSARFPYFSDE-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.55
Rot. Bonds1

About azane;1-ethyl-2-fluorobenzene

azane;1-ethyl-2-fluorobenzene (PubChem CID 66657049) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is azane;1-ethyl-2-fluorobenzene.

Molecular Properties

Compound Nameazane;1-ethyl-2-fluorobenzene
PubChem CID66657049
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Nameazane;1-ethyl-2-fluorobenzene
SMILESCCc1ccccc1F.N
InChIInChI=1S/C8H9F.H3N/c1-2-7-5-3-4-6-8(7)9;/h3-6H,2H2,1H3;1H3
InChIKeyKTPGSARFPYFSDE-UHFFFAOYSA-N
XLogP2.55
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
azane;1-fluoro-2-(fluoromethyl)benzene
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(2-ethylphenyl)-(2-fluorophenyl)methanone
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1-(2-ethylbutyl)-2-fluorobenzene
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1-fluoro-2-(propylsulfonylmethyl)benzene
CID 18337004
1-(2-ethylsulfinylethyl)-2-fluorobenzene
CID 66796569
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CID 22769633
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CID 20721019

Frequently Asked Questions

What is the IUPAC name of azane;1-ethyl-2-fluorobenzene?
The IUPAC name of azane;1-ethyl-2-fluorobenzene (CID 66657049) is azane;1-ethyl-2-fluorobenzene.
What is the SMILES notation for azane;1-ethyl-2-fluorobenzene?
The canonical SMILES for azane;1-ethyl-2-fluorobenzene is CCc1ccccc1F.N.
What is the InChIKey of azane;1-ethyl-2-fluorobenzene?
The InChIKey is KTPGSARFPYFSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.H3N/c1-2-7-5-3-4-6-8(7)9;/h3-6H,2H2,1H3;1H3.
What are the key properties of azane;1-ethyl-2-fluorobenzene?
azane;1-ethyl-2-fluorobenzene has a molecular weight of 141.19 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-ethyl-2-fluorobenzene is sourced from PubChem (CID 66657049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).