2-fluoro-4-(oxolan-3-yloxy)benzaldehyde

C11H11FO3 — CID 142441431

IUPAC2-fluoro-4-(oxolan-3-yloxy)benzaldehyde
SMILESO=Cc1ccc(OC2CCOC2)cc1F
InChIInChI=1S/C11H11FO3/c12-11-5-9(2-1-8(11)6-13)15-10-3-4-14-7-10/h1-2,5-6,10H,3-4,7H2
InChIKeyKHKZEZSKZPGHND-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.81
Rot. Bonds3

About 2-fluoro-4-(oxolan-3-yloxy)benzaldehyde

2-fluoro-4-(oxolan-3-yloxy)benzaldehyde (PubChem CID 142441431) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-fluoro-4-(oxolan-3-yloxy)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(oxolan-3-yloxy)benzaldehyde
PubChem CID142441431
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name2-fluoro-4-(oxolan-3-yloxy)benzaldehyde
SMILESO=Cc1ccc(OC2CCOC2)cc1F
InChIInChI=1S/C11H11FO3/c12-11-5-9(2-1-8(11)6-13)15-10-3-4-14-7-10/h1-2,5-6,10H,3-4,7H2
InChIKeyKHKZEZSKZPGHND-UHFFFAOYSA-N
XLogP1.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
CID 170235553
CID 145469155
CID 145469155
3-(4-fluoro-3-methylphenoxy)oxane
CID 107137923
3-(3-bromo-4-fluorophenoxy)oxane
CID 107134793
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
(3R)-3-(4-bromo-3-methylphenoxy)oxolane
CID 138986690
3-chloro-2-(oxolan-3-yloxy)benzaldehyde
CID 112611282
tert-butyl N-[2-(3-fluoro-4-formylphenoxy)spiro[3.3]heptan-6-yl]carbamate
CID 164574093
1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine
CID 107137326
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one
CID 164598513
(R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 169081097

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(oxolan-3-yloxy)benzaldehyde?
The IUPAC name of 2-fluoro-4-(oxolan-3-yloxy)benzaldehyde (CID 142441431) is 2-fluoro-4-(oxolan-3-yloxy)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-(oxolan-3-yloxy)benzaldehyde?
The canonical SMILES for 2-fluoro-4-(oxolan-3-yloxy)benzaldehyde is O=Cc1ccc(OC2CCOC2)cc1F.
What is the InChIKey of 2-fluoro-4-(oxolan-3-yloxy)benzaldehyde?
The InChIKey is KHKZEZSKZPGHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c12-11-5-9(2-1-8(11)6-13)15-10-3-4-14-7-10/h1-2,5-6,10H,3-4,7H2.
What are the key properties of 2-fluoro-4-(oxolan-3-yloxy)benzaldehyde?
2-fluoro-4-(oxolan-3-yloxy)benzaldehyde has a molecular weight of 210.20 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(oxolan-3-yloxy)benzaldehyde is sourced from PubChem (CID 142441431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).