acetylene;ethane;1-fluoro-2-methylbenzene

C11H15F — CID 145259299

IUPACacetylene;ethane;1-fluoro-2-methylbenzene
SMILESC#C.CC.Cc1ccccc1F
InChIInChI=1S/C7H7F.C2H6.C2H2/c1-6-4-2-3-5-7(6)8;2*1-2/h2-5H,1H3;1-2H3;1-2H
InChIKeyHUZNHMMIFGZZHQ-UHFFFAOYSA-N
MW166.24 g/mol
LogP3.41
Rot. Bonds

About acetylene;ethane;1-fluoro-2-methylbenzene

acetylene;ethane;1-fluoro-2-methylbenzene (PubChem CID 145259299) has the molecular formula C11H15F and a molecular weight of 166.24 g/mol. Its IUPAC name is acetylene;ethane;1-fluoro-2-methylbenzene.

Molecular Properties

Compound Nameacetylene;ethane;1-fluoro-2-methylbenzene
PubChem CID145259299
Molecular FormulaC11H15F
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Nameacetylene;ethane;1-fluoro-2-methylbenzene
SMILESC#C.CC.Cc1ccccc1F
InChIInChI=1S/C7H7F.C2H6.C2H2/c1-6-4-2-3-5-7(6)8;2*1-2/h2-5H,1H3;1-2H3;1-2H
InChIKeyHUZNHMMIFGZZHQ-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

acetylene;1-fluoro-2-methylbenzene
CID 175248306
ethane;1-fluoro-2-methylbenzene;methane
CID 143320188
ethane;1-fluoro-2-methylbenzene;propane
CID 143588585
1-fluoro-2-methylbenzene;formaldehyde
CID 143723361
but-1-yne;1-fluoro-2-methylbenzene
CID 174807664
1-fluoro-2-methylbenzene;isocyanic acid
CID 175401975
1-fluoro-2-methylbenzene;phenol
CID 159985106
1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
CID 142353819
acetylene;1,2-xylene
CID 175515922
ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene
CID 156880455
1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;toluene
CID 160743052
acetic acid;1-fluoro-2-methylbenzene;guanidine
CID 174681985

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;1-fluoro-2-methylbenzene?
The IUPAC name of acetylene;ethane;1-fluoro-2-methylbenzene (CID 145259299) is acetylene;ethane;1-fluoro-2-methylbenzene.
What is the SMILES notation for acetylene;ethane;1-fluoro-2-methylbenzene?
The canonical SMILES for acetylene;ethane;1-fluoro-2-methylbenzene is C#C.CC.Cc1ccccc1F.
What is the InChIKey of acetylene;ethane;1-fluoro-2-methylbenzene?
The InChIKey is HUZNHMMIFGZZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.C2H6.C2H2/c1-6-4-2-3-5-7(6)8;2*1-2/h2-5H,1H3;1-2H3;1-2H.
What are the key properties of acetylene;ethane;1-fluoro-2-methylbenzene?
acetylene;ethane;1-fluoro-2-methylbenzene has a molecular weight of 166.24 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;1-fluoro-2-methylbenzene is sourced from PubChem (CID 145259299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).