2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde

C12H12F2O — CID 84723107

IUPAC2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde
SMILESCC(F)(F)C1(c2ccccc2C=O)CC1
InChIInChI=1S/C12H12F2O/c1-11(13,14)12(6-7-12)10-5-3-2-4-9(10)8-15/h2-5,8H,6-7H2,1H3
InChIKeyDJWZQFZGVWRJQY-UHFFFAOYSA-N
MW210.22 g/mol
LogP3.19
Rot. Bonds3

About 2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde

2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde (PubChem CID 84723107) has the molecular formula C12H12F2O and a molecular weight of 210.22 g/mol. Its IUPAC name is 2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde.

Molecular Properties

Compound Name2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde
PubChem CID84723107
Molecular FormulaC12H12F2O
Molecular Weight210.22 g/mol
Exact Mass210.09
IUPAC Name2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde
SMILESCC(F)(F)C1(c2ccccc2C=O)CC1
InChIInChI=1S/C12H12F2O/c1-11(13,14)12(6-7-12)10-5-3-2-4-9(10)8-15/h2-5,8H,6-7H2,1H3
InChIKeyDJWZQFZGVWRJQY-UHFFFAOYSA-N
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 53.19
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-(1,1-difluoroethyl)cyclobutyl]phenol
CID 84723399
1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene
CID 84729594
2-(1-methylcyclopropyl)benzaldehyde
CID 118117463
2-(1-methylcyclopent-2-en-1-yl)benzaldehyde
CID 129216024
2-[1-(dimethylamino)cyclopentyl]benzaldehyde
CID 115030249
2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde
CID 115040494
3-[1-(1,1-difluoroethyl)cyclohexyl]benzaldehyde
CID 84729037
9,9-dimethylfluorene-4-carbaldehyde
CID 123972608
2-[1-fluoro-1-(oxan-4-yl)ethyl]benzaldehyde
CID 115041440
4-[1-(1,1-difluoroethyl)cyclopropyl]benzoic acid
CID 84725778
2-(trifluoromethylsulfanyl)benzaldehyde
CID 2777842
2-(2,2-dimethylpropyl)benzaldehyde
CID 10103697

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde?
The IUPAC name of 2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde (CID 84723107) is 2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde.
What is the SMILES notation for 2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde?
The canonical SMILES for 2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde is CC(F)(F)C1(c2ccccc2C=O)CC1.
What is the InChIKey of 2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde?
The InChIKey is DJWZQFZGVWRJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O/c1-11(13,14)12(6-7-12)10-5-3-2-4-9(10)8-15/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde?
2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde has a molecular weight of 210.22 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde is sourced from PubChem (CID 84723107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).