1-(2-ethyl-3-methylbutyl)-3-fluorobenzene

C13H19F — CID 139973435

IUPAC1-(2-ethyl-3-methylbutyl)-3-fluorobenzene
SMILESCCC(Cc1cccc(F)c1)C(C)C
InChIInChI=1S/C13H19F/c1-4-12(10(2)3)8-11-6-5-7-13(14)9-11/h5-7,9-10,12H,4,8H2,1-3H3
InChIKeyJQOJVPSQHHTHPS-UHFFFAOYSA-N
MW194.29 g/mol
LogP4.05
Rot. Bonds4

About 1-(2-ethyl-3-methylbutyl)-3-fluorobenzene

1-(2-ethyl-3-methylbutyl)-3-fluorobenzene (PubChem CID 139973435) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 1-(2-ethyl-3-methylbutyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-(2-ethyl-3-methylbutyl)-3-fluorobenzene
PubChem CID139973435
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name1-(2-ethyl-3-methylbutyl)-3-fluorobenzene
SMILESCCC(Cc1cccc(F)c1)C(C)C
InChIInChI=1S/C13H19F/c1-4-12(10(2)3)8-11-6-5-7-13(14)9-11/h5-7,9-10,12H,4,8H2,1-3H3
InChIKeyJQOJVPSQHHTHPS-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-bromo-2-ethylbutyl)-3-fluorobenzene
CID 63471794
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
ethane;(2-ethyl-3-methylbutyl)benzene
CID 166139706
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 62718818
3-ethyl-1-(3-fluorophenyl)heptan-2-ol
CID 63017524
[1-(3-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105204829
1-(2-bromo-3,3-dimethylbutyl)-3-fluorobenzene
CID 63543994
3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine
CID 84721552
1-(2-chlorohexyl)-3-fluorobenzene
CID 63542141
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
CID 62602319

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3-methylbutyl)-3-fluorobenzene?
The IUPAC name of 1-(2-ethyl-3-methylbutyl)-3-fluorobenzene (CID 139973435) is 1-(2-ethyl-3-methylbutyl)-3-fluorobenzene.
What is the SMILES notation for 1-(2-ethyl-3-methylbutyl)-3-fluorobenzene?
The canonical SMILES for 1-(2-ethyl-3-methylbutyl)-3-fluorobenzene is CCC(Cc1cccc(F)c1)C(C)C.
What is the InChIKey of 1-(2-ethyl-3-methylbutyl)-3-fluorobenzene?
The InChIKey is JQOJVPSQHHTHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F/c1-4-12(10(2)3)8-11-6-5-7-13(14)9-11/h5-7,9-10,12H,4,8H2,1-3H3.
What are the key properties of 1-(2-ethyl-3-methylbutyl)-3-fluorobenzene?
1-(2-ethyl-3-methylbutyl)-3-fluorobenzene has a molecular weight of 194.29 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-methylbutyl)-3-fluorobenzene is sourced from PubChem (CID 139973435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).