ethane;1-ethyl-4-methylbenzene;fluoromethane

C12H21F — CID 142146910

IUPACethane;1-ethyl-4-methylbenzene;fluoromethane
SMILESCC.CCc1ccc(C)cc1.CF
InChIInChI=1S/C9H12.C2H6.CH3F/c1-3-9-6-4-8(2)5-7-9;2*1-2/h4-7H,3H2,1-2H3;1-2H3;1H3
InChIKeyOLFDZRJZSPZLCX-UHFFFAOYSA-N
MW184.30 g/mol
LogP4.17
Rot. Bonds1

About ethane;1-ethyl-4-methylbenzene;fluoromethane

ethane;1-ethyl-4-methylbenzene;fluoromethane (PubChem CID 142146910) has the molecular formula C12H21F and a molecular weight of 184.30 g/mol. Its IUPAC name is ethane;1-ethyl-4-methylbenzene;fluoromethane.

Molecular Properties

Compound Nameethane;1-ethyl-4-methylbenzene;fluoromethane
PubChem CID142146910
Molecular FormulaC12H21F
Molecular Weight184.30 g/mol
Exact Mass184.16
IUPAC Nameethane;1-ethyl-4-methylbenzene;fluoromethane
SMILESCC.CCc1ccc(C)cc1.CF
InChIInChI=1S/C9H12.C2H6.CH3F/c1-3-9-6-4-8(2)5-7-9;2*1-2/h4-7H,3H2,1-2H3;1-2H3;1H3
InChIKeyOLFDZRJZSPZLCX-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
ethane;1-ethyl-4-methylbenzene;prop-1-ene
CID 143347591
1,4-diethylbenzene;ethane
CID 91207141
1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane
CID 91344204
1-ethyl-4-methylbenzene;hydroxy(methyl)silane
CID 160772634
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491
1,4-diethylbenzene;ethane;methane
CID 166131756
butane;1-ethyl-4-methylbenzene;methane;2-methylpropane
CID 160516837
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methylbenzene;fluoromethane?
The IUPAC name of ethane;1-ethyl-4-methylbenzene;fluoromethane (CID 142146910) is ethane;1-ethyl-4-methylbenzene;fluoromethane.
What is the SMILES notation for ethane;1-ethyl-4-methylbenzene;fluoromethane?
The canonical SMILES for ethane;1-ethyl-4-methylbenzene;fluoromethane is CC.CCc1ccc(C)cc1.CF.
What is the InChIKey of ethane;1-ethyl-4-methylbenzene;fluoromethane?
The InChIKey is OLFDZRJZSPZLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C2H6.CH3F/c1-3-9-6-4-8(2)5-7-9;2*1-2/h4-7H,3H2,1-2H3;1-2H3;1H3.
What are the key properties of ethane;1-ethyl-4-methylbenzene;fluoromethane?
ethane;1-ethyl-4-methylbenzene;fluoromethane has a molecular weight of 184.30 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methylbenzene;fluoromethane is sourced from PubChem (CID 142146910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).