1-fluoro-2-methylbenzene

C7H7F — CID 7241

IUPAC1-fluoro-2-methylbenzene
SMILESCc1ccccc1F
InChIInChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKeyMMZYCBHLNZVROM-UHFFFAOYSA-N
MW110.13 g/mol
LogP2.13
Rot. Bonds

About 1-fluoro-2-methylbenzene

1-fluoro-2-methylbenzene (PubChem CID 7241) has the molecular formula C7H7F and a molecular weight of 110.13 g/mol. Its IUPAC name is 1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-fluoro-2-methylbenzene
PubChem CID7241
Molecular FormulaC7H7F
Molecular Weight110.13 g/mol
Exact Mass110.05
IUPAC Name1-fluoro-2-methylbenzene
SMILESCc1ccccc1F
InChIInChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKeyMMZYCBHLNZVROM-UHFFFAOYSA-N
XLogP2.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 1140
CID 1140
CID 7237
CID 7237
CID 7407
CID 7407
CID 7500
CID 7500
CID 7501
CID 7501
CID 7929
CID 7929
CID 7809
CID 7809
CID 7406
CID 7406
CID 7705
CID 7705
CID 12161
CID 12161
CID 10864
CID 10864
CID 7668
CID 7668

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylbenzene?
The IUPAC name of 1-fluoro-2-methylbenzene (CID 7241) is 1-fluoro-2-methylbenzene.
What is the SMILES notation for 1-fluoro-2-methylbenzene?
The canonical SMILES for 1-fluoro-2-methylbenzene is Cc1ccccc1F.
What is the InChIKey of 1-fluoro-2-methylbenzene?
The InChIKey is MMZYCBHLNZVROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3.
What are the key properties of 1-fluoro-2-methylbenzene?
1-fluoro-2-methylbenzene has a molecular weight of 110.13 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylbenzene is sourced from PubChem (CID 7241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).