ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol

C14H23FO — CID 145318169

IUPACethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol
SMILESC=C.CC(C)(C)O.Cc1ccc(C)c(F)c1
InChIInChI=1S/C8H9F.C4H10O.C2H4/c1-6-3-4-7(2)8(9)5-6;1-4(2,3)5;1-2/h3-5H,1-2H3;5H,1-3H3;1-2H2
InChIKeyJIHVMACDQJNRBN-UHFFFAOYSA-N
MW226.33 g/mol
LogP4.02
Rot. Bonds

About ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol

ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol (PubChem CID 145318169) has the molecular formula C14H23FO and a molecular weight of 226.33 g/mol. Its IUPAC name is ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol.

Molecular Properties

Compound Nameethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol
PubChem CID145318169
Molecular FormulaC14H23FO
Molecular Weight226.33 g/mol
Exact Mass226.17
IUPAC Nameethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol
SMILESC=C.CC(C)(C)O.Cc1ccc(C)c(F)c1
InChIInChI=1S/C8H9F.C4H10O.C2H4/c1-6-3-4-7(2)8(9)5-6;1-4(2,3)5;1-2/h3-5H,1-2H3;5H,1-3H3;1-2H2
InChIKeyJIHVMACDQJNRBN-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
CID 159574523
ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 91513157
2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 58514695
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
CID 161158761
2-fluoro-1,4-dimethylbenzene;bis(nonane)
CID 143987706
ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 144773818
(2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 158726026

Frequently Asked Questions

What is the IUPAC name of ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol?
The IUPAC name of ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol (CID 145318169) is ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol.
What is the SMILES notation for ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol?
The canonical SMILES for ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol is C=C.CC(C)(C)O.Cc1ccc(C)c(F)c1.
What is the InChIKey of ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol?
The InChIKey is JIHVMACDQJNRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C4H10O.C2H4/c1-6-3-4-7(2)8(9)5-6;1-4(2,3)5;1-2/h3-5H,1-2H3;5H,1-3H3;1-2H2.
What are the key properties of ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol?
ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol has a molecular weight of 226.33 g/mol, XLogP of 4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol is sourced from PubChem (CID 145318169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).