1-ethyl-2-fluoro-3-propan-2-ylbenzene

C11H15F — CID 54146426

IUPAC1-ethyl-2-fluoro-3-propan-2-ylbenzene
SMILESCCc1cccc(C(C)C)c1F
InChIInChI=1S/C11H15F/c1-4-9-6-5-7-10(8(2)3)11(9)12/h5-8H,4H2,1-3H3
InChIKeyCBDBXVILFHIEAZ-UHFFFAOYSA-N
MW166.24 g/mol
LogP3.51
Rot. Bonds2

About 1-ethyl-2-fluoro-3-propan-2-ylbenzene

1-ethyl-2-fluoro-3-propan-2-ylbenzene (PubChem CID 54146426) has the molecular formula C11H15F and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-ethyl-2-fluoro-3-propan-2-ylbenzene
PubChem CID54146426
Molecular FormulaC11H15F
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name1-ethyl-2-fluoro-3-propan-2-ylbenzene
SMILESCCc1cccc(C(C)C)c1F
InChIInChI=1S/C11H15F/c1-4-9-6-5-7-10(8(2)3)11(9)12/h5-8H,4H2,1-3H3
InChIKeyCBDBXVILFHIEAZ-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-fluoro-1-nitro-3-propan-2-ylbenzene
CID 59860466
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653
1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene
CID 130420615
1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene
CID 130228150
1-ethyl-2-hexyl-3-propan-2-ylbenzene
CID 141013898
1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene
CID 123730167
1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene
CID 172620672

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-3-propan-2-ylbenzene?
The IUPAC name of 1-ethyl-2-fluoro-3-propan-2-ylbenzene (CID 54146426) is 1-ethyl-2-fluoro-3-propan-2-ylbenzene.
What is the SMILES notation for 1-ethyl-2-fluoro-3-propan-2-ylbenzene?
The canonical SMILES for 1-ethyl-2-fluoro-3-propan-2-ylbenzene is CCc1cccc(C(C)C)c1F.
What is the InChIKey of 1-ethyl-2-fluoro-3-propan-2-ylbenzene?
The InChIKey is CBDBXVILFHIEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F/c1-4-9-6-5-7-10(8(2)3)11(9)12/h5-8H,4H2,1-3H3.
What are the key properties of 1-ethyl-2-fluoro-3-propan-2-ylbenzene?
1-ethyl-2-fluoro-3-propan-2-ylbenzene has a molecular weight of 166.24 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-3-propan-2-ylbenzene is sourced from PubChem (CID 54146426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).