4-cyclopropyl-2,6-difluorobenzaldehyde

C10H8F2O — CID 163302596

IUPAC4-cyclopropyl-2,6-difluorobenzaldehyde
SMILESO=Cc1c(F)cc(C2CC2)cc1F
InChIInChI=1S/C10H8F2O/c11-9-3-7(6-1-2-6)4-10(12)8(9)5-13/h3-6H,1-2H2
InChIKeyXDQDTCZVCSZIAY-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.65
Rot. Bonds2

About 4-cyclopropyl-2,6-difluorobenzaldehyde

4-cyclopropyl-2,6-difluorobenzaldehyde (PubChem CID 163302596) has the molecular formula C10H8F2O and a molecular weight of 182.17 g/mol. Its IUPAC name is 4-cyclopropyl-2,6-difluorobenzaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-2,6-difluorobenzaldehyde
PubChem CID163302596
Molecular FormulaC10H8F2O
Molecular Weight182.17 g/mol
Exact Mass182.05
IUPAC Name4-cyclopropyl-2,6-difluorobenzaldehyde
SMILESO=Cc1c(F)cc(C2CC2)cc1F
InChIInChI=1S/C10H8F2O/c11-9-3-7(6-1-2-6)4-10(12)8(9)5-13/h3-6H,1-2H2
InChIKeyXDQDTCZVCSZIAY-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.65
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-(3,4,5-trifluorophenyl)cyclohexane-1-carbaldehyde
CID 19039181
4-cyclopropyl-2-fluorobenzaldehyde;ethane
CID 177364762
4-cyclopropyl-1,2-difluorobenzene;formic acid
CID 144529056
1,3,5-tricyclopropylbenzene
CID 13056331
4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
CID 19039186
2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde
CID 59915734
2-cyclopropyl-6-fluorobenzaldehyde
CID 87091239
4-cyclopropyl-2,6-difluoro-N-methylaniline
CID 177162139
1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane
CID 134447912
4-(3,4,5-trifluorophenyl)cyclohexane-1-carboxylic acid
CID 19746986
2,6-difluoro-4-[(2R)-2-fluoropyrrolidin-1-yl]benzaldehyde
CID 140776525
4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde
CID 167007165

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2,6-difluorobenzaldehyde?
The IUPAC name of 4-cyclopropyl-2,6-difluorobenzaldehyde (CID 163302596) is 4-cyclopropyl-2,6-difluorobenzaldehyde.
What is the SMILES notation for 4-cyclopropyl-2,6-difluorobenzaldehyde?
The canonical SMILES for 4-cyclopropyl-2,6-difluorobenzaldehyde is O=Cc1c(F)cc(C2CC2)cc1F.
What is the InChIKey of 4-cyclopropyl-2,6-difluorobenzaldehyde?
The InChIKey is XDQDTCZVCSZIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O/c11-9-3-7(6-1-2-6)4-10(12)8(9)5-13/h3-6H,1-2H2.
What are the key properties of 4-cyclopropyl-2,6-difluorobenzaldehyde?
4-cyclopropyl-2,6-difluorobenzaldehyde has a molecular weight of 182.17 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2,6-difluorobenzaldehyde is sourced from PubChem (CID 163302596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).