2-[cyclopropyl(fluoro)methyl]benzaldehyde

C11H11FO — CID 115015123

IUPAC2-[cyclopropyl(fluoro)methyl]benzaldehyde
SMILESO=Cc1ccccc1C(F)C1CC1
InChIInChI=1S/C11H11FO/c12-11(8-5-6-8)10-4-2-1-3-9(10)7-13/h1-4,7-8,11H,5-6H2
InChIKeyPGIVUYSCWSIWBU-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.92
Rot. Bonds3

About 2-[cyclopropyl(fluoro)methyl]benzaldehyde

2-[cyclopropyl(fluoro)methyl]benzaldehyde (PubChem CID 115015123) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-[cyclopropyl(fluoro)methyl]benzaldehyde.

Molecular Properties

Compound Name2-[cyclopropyl(fluoro)methyl]benzaldehyde
PubChem CID115015123
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name2-[cyclopropyl(fluoro)methyl]benzaldehyde
SMILESO=Cc1ccccc1C(F)C1CC1
InChIInChI=1S/C11H11FO/c12-11(8-5-6-8)10-4-2-1-3-9(10)7-13/h1-4,7-8,11H,5-6H2
InChIKeyPGIVUYSCWSIWBU-UHFFFAOYSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone
CID 115019022
2-(dibromomethyl)benzaldehyde
CID 15212101
2-[1-(1,1-dioxothian-3-yl)ethyl]benzaldehyde
CID 115049571
2-(2,4-dimethylpentan-3-yl)benzaldehyde
CID 21290471
2-cyclobutylsulfanylbenzaldehyde
CID 84664309
2-[hydroxy(piperidin-3-yl)methyl]benzaldehyde
CID 115031452
ethyl 4-(benzenesulfonyl)-3-cyclopropyl-2-(2-formylphenyl)butanoate
CID 10787169
[2-[cyclopentyl(fluoro)methyl]phenyl]methanamine
CID 115025382
2-(1-hydroxypropyl)benzaldehyde
CID 22057055
2-(2-formylphenyl)-2-hydroxyacetamide
CID 54502369
2-[1-[cyclopropyl(methyl)amino]pentyl]benzaldehyde
CID 146292963
(S)-cyclopropyl-(2-ethenylphenyl)methanamine
CID 131218934

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(fluoro)methyl]benzaldehyde?
The IUPAC name of 2-[cyclopropyl(fluoro)methyl]benzaldehyde (CID 115015123) is 2-[cyclopropyl(fluoro)methyl]benzaldehyde.
What is the SMILES notation for 2-[cyclopropyl(fluoro)methyl]benzaldehyde?
The canonical SMILES for 2-[cyclopropyl(fluoro)methyl]benzaldehyde is O=Cc1ccccc1C(F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(fluoro)methyl]benzaldehyde?
The InChIKey is PGIVUYSCWSIWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO/c12-11(8-5-6-8)10-4-2-1-3-9(10)7-13/h1-4,7-8,11H,5-6H2.
What are the key properties of 2-[cyclopropyl(fluoro)methyl]benzaldehyde?
2-[cyclopropyl(fluoro)methyl]benzaldehyde has a molecular weight of 178.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(fluoro)methyl]benzaldehyde is sourced from PubChem (CID 115015123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).