2-(1-fluorocyclopropyl)propanal

C6H9FO — CID 105427071

IUPAC2-(1-fluorocyclopropyl)propanal
SMILESCC(C=O)C1(F)CC1
InChIInChI=1S/C6H9FO/c1-5(4-8)6(7)2-3-6/h4-5H,2-3H2,1H3
InChIKeyGHYLLWSAZASKQG-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.32
Rot. Bonds2

About 2-(1-fluorocyclopropyl)propanal

2-(1-fluorocyclopropyl)propanal (PubChem CID 105427071) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)propanal.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)propanal
PubChem CID105427071
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name2-(1-fluorocyclopropyl)propanal
SMILESCC(C=O)C1(F)CC1
InChIInChI=1S/C6H9FO/c1-5(4-8)6(7)2-3-6/h4-5H,2-3H2,1H3
InChIKeyGHYLLWSAZASKQG-UHFFFAOYSA-N
XLogP1.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.32
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

(2R)-2-(2-methyl-1,3-dithiolan-2-yl)propanal
CID 102311900
hydride;2-methylpropanal;rubidium(1+)
CID 173100636
(2S)-2-fluoropropanal
CID 98007652
(2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal
CID 102311904
2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde
CID 168935659
4-fluoro-4-propan-2-ylcyclohexan-1-one
CID 155319933
2-methylpropanal;titanium
CID 87093638
2-methylpropanal;zirconium
CID 87321410
(2R)-2-(2-ethyl-1,3-dithian-2-yl)propanal
CID 102311898
8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane
CID 155319961
3-fluoro-3-methylpyrrolidine-1-carbaldehyde
CID 143837055
1-(3-methylbutan-2-yl)cyclopropane-1-carbaldehyde
CID 130672670

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)propanal?
The IUPAC name of 2-(1-fluorocyclopropyl)propanal (CID 105427071) is 2-(1-fluorocyclopropyl)propanal.
What is the SMILES notation for 2-(1-fluorocyclopropyl)propanal?
The canonical SMILES for 2-(1-fluorocyclopropyl)propanal is CC(C=O)C1(F)CC1.
What is the InChIKey of 2-(1-fluorocyclopropyl)propanal?
The InChIKey is GHYLLWSAZASKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-5(4-8)6(7)2-3-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-(1-fluorocyclopropyl)propanal?
2-(1-fluorocyclopropyl)propanal has a molecular weight of 116.13 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)propanal is sourced from PubChem (CID 105427071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).