ethane;1-fluoro-3-methylbenzene

C11H19F — CID 123790085

IUPACethane;1-fluoro-3-methylbenzene
SMILESCC.CC.Cc1cccc(F)c1
InChIInChI=1S/C7H7F.2C2H6/c1-6-3-2-4-7(8)5-6;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyQPPPRWYOCLDFFE-UHFFFAOYSA-N
MW170.27 g/mol
LogP4.19
Rot. Bonds

About ethane;1-fluoro-3-methylbenzene

ethane;1-fluoro-3-methylbenzene (PubChem CID 123790085) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is ethane;1-fluoro-3-methylbenzene.

Molecular Properties

Compound Nameethane;1-fluoro-3-methylbenzene
PubChem CID123790085
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Nameethane;1-fluoro-3-methylbenzene
SMILESCC.CC.Cc1cccc(F)c1
InChIInChI=1S/C7H7F.2C2H6/c1-6-3-2-4-7(8)5-6;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyQPPPRWYOCLDFFE-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

sodium;1-fluoro-3-methylbenzene;hydride
CID 174603883
ethane;1-fluoro-3-methylbenzene;tetrachloromethane
CID 91543294
1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene
CID 144581730
1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene
CID 143240223
1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene
CID 143126796
ethane;1,3-xylene
CID 54570178
ethane;methane;1,3-xylene
CID 145463381
1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;toluene
CID 160743052
2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene
CID 143200692
1,3-difluorobenzene;methanol
CID 144994633
ethane;methanol;1,3-xylene
CID 156743127
ethane;1,3-xylene;1,4-xylene
CID 145425556

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-3-methylbenzene?
The IUPAC name of ethane;1-fluoro-3-methylbenzene (CID 123790085) is ethane;1-fluoro-3-methylbenzene.
What is the SMILES notation for ethane;1-fluoro-3-methylbenzene?
The canonical SMILES for ethane;1-fluoro-3-methylbenzene is CC.CC.Cc1cccc(F)c1.
What is the InChIKey of ethane;1-fluoro-3-methylbenzene?
The InChIKey is QPPPRWYOCLDFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.2C2H6/c1-6-3-2-4-7(8)5-6;2*1-2/h2-5H,1H3;2*1-2H3.
What are the key properties of ethane;1-fluoro-3-methylbenzene?
ethane;1-fluoro-3-methylbenzene has a molecular weight of 170.27 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-3-methylbenzene is sourced from PubChem (CID 123790085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).