1-ethyl-4-(2-fluorobutan-2-yl)benzene

C12H17F — CID 89336588

IUPAC1-ethyl-4-(2-fluorobutan-2-yl)benzene
SMILESCCc1ccc(C(C)(F)CC)cc1
InChIInChI=1S/C12H17F/c1-4-10-6-8-11(9-7-10)12(3,13)5-2/h6-9H,4-5H2,1-3H3
InChIKeyAJHJDRRSNRYNSY-UHFFFAOYSA-N
MW180.27 g/mol
LogP3.84
Rot. Bonds3

About 1-ethyl-4-(2-fluorobutan-2-yl)benzene

1-ethyl-4-(2-fluorobutan-2-yl)benzene (PubChem CID 89336588) has the molecular formula C12H17F and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-ethyl-4-(2-fluorobutan-2-yl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(2-fluorobutan-2-yl)benzene
PubChem CID89336588
Molecular FormulaC12H17F
Molecular Weight180.27 g/mol
Exact Mass180.13
IUPAC Name1-ethyl-4-(2-fluorobutan-2-yl)benzene
SMILESCCc1ccc(C(C)(F)CC)cc1
InChIInChI=1S/C12H17F/c1-4-10-6-8-11(9-7-10)12(3,13)5-2/h6-9H,4-5H2,1-3H3
InChIKeyAJHJDRRSNRYNSY-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 157359507
1-ethyl-4-(3-methylpentan-3-yl)benzene
CID 154560765
1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene
CID 142025123
1,4-diethylbenzene;ethane
CID 91207141
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
2-(4-ethylphenyl)-2,2-difluoroethanol
CID 105425911
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513
1,4-diethylbenzene;ethane;methane
CID 166131756
3-(4-ethylphenyl)pentan-3-ol
CID 62543234
1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene
CID 163987705
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-fluorobutan-2-yl)benzene?
The IUPAC name of 1-ethyl-4-(2-fluorobutan-2-yl)benzene (CID 89336588) is 1-ethyl-4-(2-fluorobutan-2-yl)benzene.
What is the SMILES notation for 1-ethyl-4-(2-fluorobutan-2-yl)benzene?
The canonical SMILES for 1-ethyl-4-(2-fluorobutan-2-yl)benzene is CCc1ccc(C(C)(F)CC)cc1.
What is the InChIKey of 1-ethyl-4-(2-fluorobutan-2-yl)benzene?
The InChIKey is AJHJDRRSNRYNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F/c1-4-10-6-8-11(9-7-10)12(3,13)5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-4-(2-fluorobutan-2-yl)benzene?
1-ethyl-4-(2-fluorobutan-2-yl)benzene has a molecular weight of 180.27 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-fluorobutan-2-yl)benzene is sourced from PubChem (CID 89336588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).