2-cyclopropyl-1-fluoro-3-methoxybenzene

C10H11FO — CID 144811064

IUPAC2-cyclopropyl-1-fluoro-3-methoxybenzene
SMILESCOc1cccc(F)c1C1CC1
InChIInChI=1S/C10H11FO/c1-12-9-4-2-3-8(11)10(9)7-5-6-7/h2-4,7H,5-6H2,1H3
InChIKeyKVWLNHWGGMDMOC-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.71
Rot. Bonds2

About 2-cyclopropyl-1-fluoro-3-methoxybenzene

2-cyclopropyl-1-fluoro-3-methoxybenzene (PubChem CID 144811064) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 2-cyclopropyl-1-fluoro-3-methoxybenzene.

Molecular Properties

Compound Name2-cyclopropyl-1-fluoro-3-methoxybenzene
PubChem CID144811064
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name2-cyclopropyl-1-fluoro-3-methoxybenzene
SMILESCOc1cccc(F)c1C1CC1
InChIInChI=1S/C10H11FO/c1-12-9-4-2-3-8(11)10(9)7-5-6-7/h2-4,7H,5-6H2,1H3
InChIKeyKVWLNHWGGMDMOC-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-fluoro-3-methoxybenzene?
The IUPAC name of 2-cyclopropyl-1-fluoro-3-methoxybenzene (CID 144811064) is 2-cyclopropyl-1-fluoro-3-methoxybenzene.
What is the SMILES notation for 2-cyclopropyl-1-fluoro-3-methoxybenzene?
The canonical SMILES for 2-cyclopropyl-1-fluoro-3-methoxybenzene is COc1cccc(F)c1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-fluoro-3-methoxybenzene?
The InChIKey is KVWLNHWGGMDMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-12-9-4-2-3-8(11)10(9)7-5-6-7/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-cyclopropyl-1-fluoro-3-methoxybenzene?
2-cyclopropyl-1-fluoro-3-methoxybenzene has a molecular weight of 166.19 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-fluoro-3-methoxybenzene is sourced from PubChem (CID 144811064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).