4-(cyclopropylmethoxy)-3-fluorobenzaldehyde

C11H11FO2 — CID 20794858

IUPAC4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C11H11FO2/c12-10-5-9(6-13)3-4-11(10)14-7-8-1-2-8/h3-6,8H,1-2,7H2
InChIKeyUTCNWEBLBICQOD-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.43
Rot. Bonds4

About 4-(cyclopropylmethoxy)-3-fluorobenzaldehyde

4-(cyclopropylmethoxy)-3-fluorobenzaldehyde (PubChem CID 20794858) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
PubChem CID20794858
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C11H11FO2/c12-10-5-9(6-13)3-4-11(10)14-7-8-1-2-8/h3-6,8H,1-2,7H2
InChIKeyUTCNWEBLBICQOD-UHFFFAOYSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
CID 19705426
3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde
CID 43826140
3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde
CID 107689602
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
3-fluoro-4-(3-fluoropropoxy)benzaldehyde
CID 103850099
potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide
CID 107693734
3-fluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]benzaldehyde
CID 140746892
3-chloro-4-(oxan-4-ylmethoxy)benzaldehyde
CID 55066357
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
4-(ethoxymethoxy)-3-fluorobenzaldehyde
CID 107689657
N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide
CID 84795927

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-3-fluorobenzaldehyde?
The IUPAC name of 4-(cyclopropylmethoxy)-3-fluorobenzaldehyde (CID 20794858) is 4-(cyclopropylmethoxy)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(cyclopropylmethoxy)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(cyclopropylmethoxy)-3-fluorobenzaldehyde is O=Cc1ccc(OCC2CC2)c(F)c1.
What is the InChIKey of 4-(cyclopropylmethoxy)-3-fluorobenzaldehyde?
The InChIKey is UTCNWEBLBICQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-10-5-9(6-13)3-4-11(10)14-7-8-1-2-8/h3-6,8H,1-2,7H2.
What are the key properties of 4-(cyclopropylmethoxy)-3-fluorobenzaldehyde?
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde has a molecular weight of 194.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-3-fluorobenzaldehyde is sourced from PubChem (CID 20794858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).