2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde

C11H11FO2 — CID 20792250

IUPAC2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde
SMILESCOc1ccc(C2CC2C=O)cc1F
InChIInChI=1S/C11H11FO2/c1-14-11-3-2-7(5-10(11)12)9-4-8(9)6-13/h2-3,5-6,8-9H,4H2,1H3
InChIKeyDKQWJKWIGIAOIG-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.14
Rot. Bonds3

About 2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde

2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde (PubChem CID 20792250) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde
PubChem CID20792250
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde
SMILESCOc1ccc(C2CC2C=O)cc1F
InChIInChI=1S/C11H11FO2/c1-14-11-3-2-7(5-10(11)12)9-4-8(9)6-13/h2-3,5-6,8-9H,4H2,1H3
InChIKeyDKQWJKWIGIAOIG-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.14
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

2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde
CID 22347501
cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde
CID 95994342
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413
2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020800
2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one
CID 81415947
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
CID 64909846
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 65101606
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 65101607
2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 81009100
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde (CID 20792250) is 2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde is COc1ccc(C2CC2C=O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde?
The InChIKey is DKQWJKWIGIAOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-14-11-3-2-7(5-10(11)12)9-4-8(9)6-13/h2-3,5-6,8-9H,4H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde?
2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde has a molecular weight of 194.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 20792250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).