1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene

C12H17F — CID 168959463

IUPAC1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene
SMILESCCc1ccc(C)c(F)c1C(C)C
InChIInChI=1S/C12H17F/c1-5-10-7-6-9(4)12(13)11(10)8(2)3/h6-8H,5H2,1-4H3
InChIKeyZEDKGBOIZLZFBM-UHFFFAOYSA-N
MW180.27 g/mol
LogP3.82
Rot. Bonds2

About 1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene

1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene (PubChem CID 168959463) has the molecular formula C12H17F and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene
PubChem CID168959463
Molecular FormulaC12H17F
Molecular Weight180.27 g/mol
Exact Mass180.13
IUPAC Name1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene
SMILESCCc1ccc(C)c(F)c1C(C)C
InChIInChI=1S/C12H17F/c1-5-10-7-6-9(4)12(13)11(10)8(2)3/h6-8H,5H2,1-4H3
InChIKeyZEDKGBOIZLZFBM-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-3-methyl-2-propan-2-ylphenol
CID 89393245
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653
1,4-dichloro-5-ethyl-3-fluoro-2-propan-2-ylbenzene
CID 177005609
1-ethyl-2-fluoro-3-propan-2-ylbenzene
CID 54146426
4-(difluoromethyl)-1-ethyl-2-methylbenzene
CID 89190033
1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-3-one
CID 107514321
3-ethyl-5-fluoro-4-propan-2-ylpyridine
CID 146392473
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
CID 145053588
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene
CID 122480972
1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 105027085

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene?
The IUPAC name of 1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene (CID 168959463) is 1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene is CCc1ccc(C)c(F)c1C(C)C.
What is the InChIKey of 1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene?
The InChIKey is ZEDKGBOIZLZFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F/c1-5-10-7-6-9(4)12(13)11(10)8(2)3/h6-8H,5H2,1-4H3.
What are the key properties of 1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene?
1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene has a molecular weight of 180.27 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene is sourced from PubChem (CID 168959463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).