acetylene;1-fluoro-2-methylbenzene

C9H9F — CID 175248306

IUPACacetylene;1-fluoro-2-methylbenzene
SMILESC#C.Cc1ccccc1F
InChIInChI=1S/C7H7F.C2H2/c1-6-4-2-3-5-7(6)8;1-2/h2-5H,1H3;1-2H
InChIKeySFQACBMIJQYDBA-UHFFFAOYSA-N
MW136.17 g/mol
LogP2.38
Rot. Bonds

About acetylene;1-fluoro-2-methylbenzene

acetylene;1-fluoro-2-methylbenzene (PubChem CID 175248306) has the molecular formula C9H9F and a molecular weight of 136.17 g/mol. Its IUPAC name is acetylene;1-fluoro-2-methylbenzene.

Molecular Properties

Compound Nameacetylene;1-fluoro-2-methylbenzene
PubChem CID175248306
Molecular FormulaC9H9F
Molecular Weight136.17 g/mol
Exact Mass136.07
IUPAC Nameacetylene;1-fluoro-2-methylbenzene
SMILESC#C.Cc1ccccc1F
InChIInChI=1S/C7H7F.C2H2/c1-6-4-2-3-5-7(6)8;1-2/h2-5H,1H3;1-2H
InChIKeySFQACBMIJQYDBA-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 52.38
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;ethane;1-fluoro-2-methylbenzene
CID 145259299
ethane;1-fluoro-2-methylbenzene;methane
CID 143320188
1-fluoro-2-methylbenzene;formaldehyde
CID 143723361
ethane;1-fluoro-2-methylbenzene;propane
CID 143588585
but-1-yne;1-fluoro-2-methylbenzene
CID 174807664
1-fluoro-2-methylbenzene;isocyanic acid
CID 175401975
1-fluoro-2-methylbenzene;phenol
CID 159985106
acetylene;1,2-xylene
CID 175515922
1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;toluene
CID 160743052
1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
CID 142353819
ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene
CID 156880455
acetic acid;1-fluoro-2-methylbenzene;guanidine
CID 174681985

Frequently Asked Questions

What is the IUPAC name of acetylene;1-fluoro-2-methylbenzene?
The IUPAC name of acetylene;1-fluoro-2-methylbenzene (CID 175248306) is acetylene;1-fluoro-2-methylbenzene.
What is the SMILES notation for acetylene;1-fluoro-2-methylbenzene?
The canonical SMILES for acetylene;1-fluoro-2-methylbenzene is C#C.Cc1ccccc1F.
What is the InChIKey of acetylene;1-fluoro-2-methylbenzene?
The InChIKey is SFQACBMIJQYDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.C2H2/c1-6-4-2-3-5-7(6)8;1-2/h2-5H,1H3;1-2H.
What are the key properties of acetylene;1-fluoro-2-methylbenzene?
acetylene;1-fluoro-2-methylbenzene has a molecular weight of 136.17 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-fluoro-2-methylbenzene is sourced from PubChem (CID 175248306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).