4-chloro-2,6-bis(trifluoromethyl)benzaldehyde

C9H3ClF6O — CID 118990875

IUPAC4-chloro-2,6-bis(trifluoromethyl)benzaldehyde
SMILESO=Cc1c(C(F)(F)F)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H3ClF6O/c10-4-1-6(8(11,12)13)5(3-17)7(2-4)9(14,15)16/h1-3H
InChIKeyIQENMANFZPUBRE-UHFFFAOYSA-N
MW276.56 g/mol
LogP4.19
Rot. Bonds1

About 4-chloro-2,6-bis(trifluoromethyl)benzaldehyde

4-chloro-2,6-bis(trifluoromethyl)benzaldehyde (PubChem CID 118990875) has the molecular formula C9H3ClF6O and a molecular weight of 276.56 g/mol. Its IUPAC name is 4-chloro-2,6-bis(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-chloro-2,6-bis(trifluoromethyl)benzaldehyde
PubChem CID118990875
Molecular FormulaC9H3ClF6O
Molecular Weight276.56 g/mol
Exact Mass275.98
IUPAC Name4-chloro-2,6-bis(trifluoromethyl)benzaldehyde
SMILESO=Cc1c(C(F)(F)F)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H3ClF6O/c10-4-1-6(8(11,12)13)5(3-17)7(2-4)9(14,15)16/h1-3H
InChIKeyIQENMANFZPUBRE-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 54.19
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

4-formyl-3,5-bis(trifluoromethyl)benzonitrile
CID 119014976
2,4-difluoro-6-(trifluoromethyl)benzaldehyde
CID 19995596
1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene
CID 174837758
4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde
CID 131354810
6-chloro-2,3-bis(trifluoromethyl)benzaldehyde
CID 119021847
2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde
CID 170759596
2,3,6-trifluoro-5-(trifluoromethyl)benzaldehyde
CID 19995606
2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde
CID 118065573
5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene
CID 119001959
2-(difluoromethyl)-6-(trifluoromethyl)terephthalaldehyde
CID 171027927
2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide
CID 119010128
4-ethyl-2-fluoro-6-(trifluoromethyl)benzaldehyde
CID 88578381

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-bis(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-chloro-2,6-bis(trifluoromethyl)benzaldehyde (CID 118990875) is 4-chloro-2,6-bis(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-chloro-2,6-bis(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-chloro-2,6-bis(trifluoromethyl)benzaldehyde is O=Cc1c(C(F)(F)F)cc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-2,6-bis(trifluoromethyl)benzaldehyde?
The InChIKey is IQENMANFZPUBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClF6O/c10-4-1-6(8(11,12)13)5(3-17)7(2-4)9(14,15)16/h1-3H.
What are the key properties of 4-chloro-2,6-bis(trifluoromethyl)benzaldehyde?
4-chloro-2,6-bis(trifluoromethyl)benzaldehyde has a molecular weight of 276.56 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-bis(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 118990875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).