2-fluoro-6-(2-methylpropoxy)benzaldehyde

C11H13FO2 — CID 86622730

IUPAC2-fluoro-6-(2-methylpropoxy)benzaldehyde
SMILESCC(C)COc1cccc(F)c1C=O
InChIInChI=1S/C11H13FO2/c1-8(2)7-14-11-5-3-4-10(12)9(11)6-13/h3-6,8H,7H2,1-2H3
InChIKeyDWDIKOOGQDZJGV-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.67
Rot. Bonds4

About 2-fluoro-6-(2-methylpropoxy)benzaldehyde

2-fluoro-6-(2-methylpropoxy)benzaldehyde (PubChem CID 86622730) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-fluoro-6-(2-methylpropoxy)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-(2-methylpropoxy)benzaldehyde
PubChem CID86622730
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-fluoro-6-(2-methylpropoxy)benzaldehyde
SMILESCC(C)COc1cccc(F)c1C=O
InChIInChI=1S/C11H13FO2/c1-8(2)7-14-11-5-3-4-10(12)9(11)6-13/h3-6,8H,7H2,1-2H3
InChIKeyDWDIKOOGQDZJGV-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.67
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

(3-fluoro-2-formylphenoxy)boronic acid
CID 163404826
1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene
CID 142488537
2-chloro-6-(2-methylbutoxy)benzaldehyde
CID 62104198
2-fluoro-6-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649734
2-fluoro-6-methylbenzaldehyde;methyl formate
CID 163291758
2,6-bis(2-methylpropoxy)benzoic acid
CID 15219087
2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde
CID 174983954
2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde
CID 114065202
2-(4,4-dimethylcyclohexyl)oxy-6-fluorobenzaldehyde
CID 114065209
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698
2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde
CID 90426997
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methylpropoxy)benzaldehyde?
The IUPAC name of 2-fluoro-6-(2-methylpropoxy)benzaldehyde (CID 86622730) is 2-fluoro-6-(2-methylpropoxy)benzaldehyde.
What is the SMILES notation for 2-fluoro-6-(2-methylpropoxy)benzaldehyde?
The canonical SMILES for 2-fluoro-6-(2-methylpropoxy)benzaldehyde is CC(C)COc1cccc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-(2-methylpropoxy)benzaldehyde?
The InChIKey is DWDIKOOGQDZJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8(2)7-14-11-5-3-4-10(12)9(11)6-13/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-fluoro-6-(2-methylpropoxy)benzaldehyde?
2-fluoro-6-(2-methylpropoxy)benzaldehyde has a molecular weight of 196.22 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methylpropoxy)benzaldehyde is sourced from PubChem (CID 86622730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).