2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde

C7H10F2O — CID 176712204

IUPAC2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde
SMILESCC1(CC=O)CC(F)(F)C1
InChIInChI=1S/C7H10F2O/c1-6(2-3-10)4-7(8,9)5-6/h3H,2,4-5H2,1H3
InChIKeyMEGPJEACKAULLF-UHFFFAOYSA-N
MW148.15 g/mol
LogP2.01
Rot. Bonds2

About 2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde

2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde (PubChem CID 176712204) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde.

Molecular Properties

Compound Name2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde
PubChem CID176712204
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde
SMILESCC1(CC=O)CC(F)(F)C1
InChIInChI=1S/C7H10F2O/c1-6(2-3-10)4-7(8,9)5-6/h3H,2,4-5H2,1H3
InChIKeyMEGPJEACKAULLF-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 52.01
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

2-(1-methylcyclopropyl)acetaldehyde
CID 13464501
2-(4-methylpiperidin-4-yl)acetaldehyde
CID 59311929
1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane
CID 177300443
2-(2-methyloxiran-2-yl)acetaldehyde
CID 14691612
N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine
CID 142295195
2-[1-(1-sulfanylethyl)cyclopropyl]acetaldehyde
CID 89329105
2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde
CID 114795274
3,3-difluoro-1-methylcyclobutane-1-carboxylic acid
CID 23446853
3-(1-methylcyclopropyl)propanal
CID 22421116
2-(1-propan-2-ylcyclohexyl)acetaldehyde
CID 57205409
2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde
CID 130025271
2-(1-ethylcyclobutyl)acetaldehyde
CID 130601222

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde?
The IUPAC name of 2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde (CID 176712204) is 2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde.
What is the SMILES notation for 2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde?
The canonical SMILES for 2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde is CC1(CC=O)CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde?
The InChIKey is MEGPJEACKAULLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c1-6(2-3-10)4-7(8,9)5-6/h3H,2,4-5H2,1H3.
What are the key properties of 2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde?
2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde has a molecular weight of 148.15 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde is sourced from PubChem (CID 176712204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).