1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene

C13H19F — CID 170009086

IUPAC1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene
SMILESCCc1ccc(C(C)(C)CC)cc1F
InChIInChI=1S/C13H19F/c1-5-10-7-8-11(9-12(10)14)13(3,4)6-2/h7-9H,5-6H2,1-4H3
InChIKeyCPQSPSWMQHWCTJ-UHFFFAOYSA-N
MW194.29 g/mol
LogP4.08
Rot. Bonds3

About 1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene

1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene (PubChem CID 170009086) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene
PubChem CID170009086
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene
SMILESCCc1ccc(C(C)(C)CC)cc1F
InChIInChI=1S/C13H19F/c1-5-10-7-8-11(9-12(10)14)13(3,4)6-2/h7-9H,5-6H2,1-4H3
InChIKeyCPQSPSWMQHWCTJ-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

P-Xylene
CID 7809
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
Tert-Butylbenzene
CID 7366
4-tert-Butyltoluene
CID 7390
1,4-Diethylbenzene
CID 7734
4-Methylbiphenyl
CID 12566
p-alpha-Dimethyl styrene
CID 62385
Curcumene
CID 92139

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene (CID 170009086) is 1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene is CCc1ccc(C(C)(C)CC)cc1F.
What is the InChIKey of 1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene?
The InChIKey is CPQSPSWMQHWCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F/c1-5-10-7-8-11(9-12(10)14)13(3,4)6-2/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene?
1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene has a molecular weight of 194.29 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 170009086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).