5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde

C12H6ClF3O2 — CID 623670

IUPAC5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C12H6ClF3O2/c13-10-3-1-7(12(14,15)16)5-9(10)11-4-2-8(6-17)18-11/h1-6H
InChIKeyBDUFOVWZBTVLPY-UHFFFAOYSA-N
MW274.62 g/mol
LogP4.43
Rot. Bonds2

About 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde

5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde (PubChem CID 623670) has the molecular formula C12H6ClF3O2 and a molecular weight of 274.62 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
PubChem CID623670
Molecular FormulaC12H6ClF3O2
Molecular Weight274.62 g/mol
Exact Mass274.00
IUPAC Name5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C12H6ClF3O2/c13-10-3-1-7(12(14,15)16)5-9(10)11-4-2-8(6-17)18-11/h1-6H
InChIKeyBDUFOVWZBTVLPY-UHFFFAOYSA-N
XLogP4.43
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.62
LogP ≤ 54.43
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

(NZ)-N-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydroxylamine
CID 28689333
5-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169336019
5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 134093711
5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169335505
2-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 4130544
5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169334678
4-chloro-3-(5-formylfuran-2-yl)benzonitrile
CID 99965456
5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 22562092
4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 91545030
3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one
CID 3444005
3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
CID 3444003
(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyanoprop-2-enamide
CID 2130660

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde (CID 623670) is 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The InChIKey is BDUFOVWZBTVLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3O2/c13-10-3-1-7(12(14,15)16)5-9(10)11-4-2-8(6-17)18-11/h1-6H.
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde has a molecular weight of 274.62 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 623670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).