2-fluoro-4-propan-2-yloxybenzaldehyde;methane

C11H15FO2 — CID 166468133

IUPAC2-fluoro-4-propan-2-yloxybenzaldehyde;methane
SMILESC.CC(C)Oc1ccc(C=O)c(F)c1
InChIInChI=1S/C10H11FO2.CH4/c1-7(2)13-9-4-3-8(6-12)10(11)5-9;/h3-7H,1-2H3;1H4
InChIKeyUQQZXCADEMVSQZ-UHFFFAOYSA-N
MW198.24 g/mol
LogP3.06
Rot. Bonds3

About 2-fluoro-4-propan-2-yloxybenzaldehyde;methane

2-fluoro-4-propan-2-yloxybenzaldehyde;methane (PubChem CID 166468133) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-fluoro-4-propan-2-yloxybenzaldehyde;methane.

Molecular Properties

Compound Name2-fluoro-4-propan-2-yloxybenzaldehyde;methane
PubChem CID166468133
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name2-fluoro-4-propan-2-yloxybenzaldehyde;methane
SMILESC.CC(C)Oc1ccc(C=O)c(F)c1
InChIInChI=1S/C10H11FO2.CH4/c1-7(2)13-9-4-3-8(6-12)10(11)5-9;/h3-7H,1-2H3;1H4
InChIKeyUQQZXCADEMVSQZ-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-propan-2-yloxybenzaldehyde;methane?
The IUPAC name of 2-fluoro-4-propan-2-yloxybenzaldehyde;methane (CID 166468133) is 2-fluoro-4-propan-2-yloxybenzaldehyde;methane.
What is the SMILES notation for 2-fluoro-4-propan-2-yloxybenzaldehyde;methane?
The canonical SMILES for 2-fluoro-4-propan-2-yloxybenzaldehyde;methane is C.CC(C)Oc1ccc(C=O)c(F)c1.
What is the InChIKey of 2-fluoro-4-propan-2-yloxybenzaldehyde;methane?
The InChIKey is UQQZXCADEMVSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2.CH4/c1-7(2)13-9-4-3-8(6-12)10(11)5-9;/h3-7H,1-2H3;1H4.
What are the key properties of 2-fluoro-4-propan-2-yloxybenzaldehyde;methane?
2-fluoro-4-propan-2-yloxybenzaldehyde;methane has a molecular weight of 198.24 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propan-2-yloxybenzaldehyde;methane is sourced from PubChem (CID 166468133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).