4-[2-(difluoromethyl)cyclobutyl]benzaldehyde

C12H12F2O — CID 115026728

IUPAC4-[2-(difluoromethyl)cyclobutyl]benzaldehyde
SMILESO=Cc1ccc(C2CCC2C(F)F)cc1
InChIInChI=1S/C12H12F2O/c13-12(14)11-6-5-10(11)9-3-1-8(7-15)2-4-9/h1-4,7,10-12H,5-6H2
InChIKeyOJGVLUFENONBDQ-UHFFFAOYSA-N
MW210.22 g/mol
LogP3.26
Rot. Bonds3

About 4-[2-(difluoromethyl)cyclobutyl]benzaldehyde

4-[2-(difluoromethyl)cyclobutyl]benzaldehyde (PubChem CID 115026728) has the molecular formula C12H12F2O and a molecular weight of 210.22 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)cyclobutyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(difluoromethyl)cyclobutyl]benzaldehyde
PubChem CID115026728
Molecular FormulaC12H12F2O
Molecular Weight210.22 g/mol
Exact Mass210.09
IUPAC Name4-[2-(difluoromethyl)cyclobutyl]benzaldehyde
SMILESO=Cc1ccc(C2CCC2C(F)F)cc1
InChIInChI=1S/C12H12F2O/c13-12(14)11-6-5-10(11)9-3-1-8(7-15)2-4-9/h1-4,7,10-12H,5-6H2
InChIKeyOJGVLUFENONBDQ-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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

4-[2-(fluoromethyl)cyclobutyl]benzaldehyde
CID 115019010
4-cycloheptylbenzaldehyde
CID 21484445
4-cyclooctylbenzaldehyde
CID 12923818
4-[chloro(fluoro)methyl]benzaldehyde
CID 54039604
4-(3-hydroxycyclopentyl)benzaldehyde
CID 115018169
4-(1-cyclopentyl-2,2-difluoroethyl)benzaldehyde
CID 115042518
4-(2,2-difluorocyclohexyl)benzaldehyde
CID 83856169
4-[(1R,4aS,8aS)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]benzaldehyde
CID 162964394
fluoroform;4-hydroxybenzaldehyde
CID 158009924
4-pyrrolidin-3-ylbenzaldehyde
CID 84766958
4-(4-tert-butylcyclohexyl)benzaldehyde
CID 117363264
4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde
CID 115019023

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)cyclobutyl]benzaldehyde?
The IUPAC name of 4-[2-(difluoromethyl)cyclobutyl]benzaldehyde (CID 115026728) is 4-[2-(difluoromethyl)cyclobutyl]benzaldehyde.
What is the SMILES notation for 4-[2-(difluoromethyl)cyclobutyl]benzaldehyde?
The canonical SMILES for 4-[2-(difluoromethyl)cyclobutyl]benzaldehyde is O=Cc1ccc(C2CCC2C(F)F)cc1.
What is the InChIKey of 4-[2-(difluoromethyl)cyclobutyl]benzaldehyde?
The InChIKey is OJGVLUFENONBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O/c13-12(14)11-6-5-10(11)9-3-1-8(7-15)2-4-9/h1-4,7,10-12H,5-6H2.
What are the key properties of 4-[2-(difluoromethyl)cyclobutyl]benzaldehyde?
4-[2-(difluoromethyl)cyclobutyl]benzaldehyde has a molecular weight of 210.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)cyclobutyl]benzaldehyde is sourced from PubChem (CID 115026728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).