4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde

C14H10F2OS — CID 63802374

IUPAC4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2OS/c1-9-6-10(8-17)2-5-14(9)18-11-3-4-12(15)13(16)7-11/h2-8H,1H3
InChIKeySJVGKFMZHOSZDR-UHFFFAOYSA-N
MW264.30 g/mol
LogP4.24
Rot. Bonds3

About 4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde

4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde (PubChem CID 63802374) has the molecular formula C14H10F2OS and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde
PubChem CID63802374
Molecular FormulaC14H10F2OS
Molecular Weight264.30 g/mol
Exact Mass264.04
IUPAC Name4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2OS/c1-9-6-10(8-17)2-5-14(9)18-11-3-4-12(15)13(16)7-11/h2-8H,1H3
InChIKeySJVGKFMZHOSZDR-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde
CID 63803402
4-(2,5-dichlorophenyl)sulfanyl-3-methylbenzaldehyde
CID 55238761
4-tert-butylsulfanyl-3-methylbenzaldehyde
CID 63804048
4-bromo-2-(3,4-difluorophenyl)sulfanylbenzaldehyde
CID 55239331
3-fluoro-4-phenylsulfanylbenzaldehyde
CID 63803868
3-bromo-4-(4-methylphenyl)sulfanylbenzaldehyde
CID 18669010
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbenzaldehyde
CID 55240679
4-(1,3-benzothiazol-2-ylsulfanyl)-3-methylbenzaldehyde
CID 55238001
4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene
CID 14223180
4-(2,5-difluorophenyl)-3-methylbenzaldehyde
CID 81446927
4-[2,4-bis(methylsulfonyl)phenyl]sulfanyl-1,2-difluorobenzene
CID 51285177
4-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzaldehyde
CID 81447109

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde?
The IUPAC name of 4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde (CID 63802374) is 4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde.
What is the SMILES notation for 4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde?
The canonical SMILES for 4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde is Cc1cc(C=O)ccc1Sc1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde?
The InChIKey is SJVGKFMZHOSZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2OS/c1-9-6-10(8-17)2-5-14(9)18-11-3-4-12(15)13(16)7-11/h2-8H,1H3.
What are the key properties of 4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde?
4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde has a molecular weight of 264.30 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde is sourced from PubChem (CID 63802374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).