1-(2-ethylbutyl)-2-fluorobenzene

C12H17F — CID 139973427

IUPAC1-(2-ethylbutyl)-2-fluorobenzene
SMILESCCC(CC)Cc1ccccc1F
InChIInChI=1S/C12H17F/c1-3-10(4-2)9-11-7-5-6-8-12(11)13/h5-8,10H,3-4,9H2,1-2H3
InChIKeyHZIWBYVBDQBYDQ-UHFFFAOYSA-N
MW180.27 g/mol
LogP3.80
Rot. Bonds4

About 1-(2-ethylbutyl)-2-fluorobenzene

1-(2-ethylbutyl)-2-fluorobenzene (PubChem CID 139973427) has the molecular formula C12H17F and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(2-ethylbutyl)-2-fluorobenzene
PubChem CID139973427
Molecular FormulaC12H17F
Molecular Weight180.27 g/mol
Exact Mass180.13
IUPAC Name1-(2-ethylbutyl)-2-fluorobenzene
SMILESCCC(CC)Cc1ccccc1F
InChIInChI=1S/C12H17F/c1-3-10(4-2)9-11-7-5-6-8-12(11)13/h5-8,10H,3-4,9H2,1-2H3
InChIKeyHZIWBYVBDQBYDQ-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(bromomethyl)butyl]-2-fluorobenzene
CID 66041853
1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene
CID 87128788
methyl 4-[(2-fluorophenyl)methyl]hexanoate
CID 174497921
1-(3-bromo-2-methylpentyl)-2-fluorobenzene
CID 63561092
3-[(2-fluorophenyl)methyl]pentan-2-amine
CID 60999151
1-[2-(chloromethyl)butyl]-2,3-difluorobenzene
CID 66036130
1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene
CID 174779552
azane;1-ethyl-2-fluorobenzene
CID 66657049
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 103984391
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
1-[2-(bromomethyl)butoxymethyl]-2-fluorobenzene
CID 65000075

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-2-fluorobenzene?
The IUPAC name of 1-(2-ethylbutyl)-2-fluorobenzene (CID 139973427) is 1-(2-ethylbutyl)-2-fluorobenzene.
What is the SMILES notation for 1-(2-ethylbutyl)-2-fluorobenzene?
The canonical SMILES for 1-(2-ethylbutyl)-2-fluorobenzene is CCC(CC)Cc1ccccc1F.
What is the InChIKey of 1-(2-ethylbutyl)-2-fluorobenzene?
The InChIKey is HZIWBYVBDQBYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F/c1-3-10(4-2)9-11-7-5-6-8-12(11)13/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 1-(2-ethylbutyl)-2-fluorobenzene?
1-(2-ethylbutyl)-2-fluorobenzene has a molecular weight of 180.27 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-2-fluorobenzene is sourced from PubChem (CID 139973427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).