fluoromethylbenzene

C7H7F — CID 9591

IUPACfluoromethylbenzene
SMILESFCc1ccccc1
InChIInChI=1S/C7H7F/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyMBXXQYJBFRRFCK-UHFFFAOYSA-N
MW110.13 g/mol
LogP2.16
Rot. Bonds1

About fluoromethylbenzene

fluoromethylbenzene (PubChem CID 9591) has the molecular formula C7H7F and a molecular weight of 110.13 g/mol. Its IUPAC name is fluoromethylbenzene.

Molecular Properties

Compound Namefluoromethylbenzene
PubChem CID9591
Molecular FormulaC7H7F
Molecular Weight110.13 g/mol
Exact Mass110.05
IUPAC Namefluoromethylbenzene
SMILESFCc1ccccc1
InChIInChI=1S/C7H7F/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyMBXXQYJBFRRFCK-UHFFFAOYSA-N
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of fluoromethylbenzene?
The IUPAC name of fluoromethylbenzene (CID 9591) is fluoromethylbenzene.
What is the SMILES notation for fluoromethylbenzene?
The canonical SMILES for fluoromethylbenzene is FCc1ccccc1.
What is the InChIKey of fluoromethylbenzene?
The InChIKey is MBXXQYJBFRRFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F/c8-6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of fluoromethylbenzene?
fluoromethylbenzene has a molecular weight of 110.13 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethylbenzene is sourced from PubChem (CID 9591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).