3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde

C10H7ClF4O2 — CID 78996104

IUPAC3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
SMILESO=Cc1ccc(OCC(F)(F)C(F)F)c(Cl)c1
InChIInChI=1S/C10H7ClF4O2/c11-7-3-6(4-16)1-2-8(7)17-5-10(14,15)9(12)13/h1-4,9H,5H2
InChIKeyYMTJJSBZOJRCFR-UHFFFAOYSA-N
MW270.61 g/mol
LogP3.43
Rot. Bonds5

About 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde

3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde (PubChem CID 78996104) has the molecular formula C10H7ClF4O2 and a molecular weight of 270.61 g/mol. Its IUPAC name is 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
PubChem CID78996104
Molecular FormulaC10H7ClF4O2
Molecular Weight270.61 g/mol
Exact Mass270.01
IUPAC Name3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
SMILESO=Cc1ccc(OCC(F)(F)C(F)F)c(Cl)c1
InChIInChI=1S/C10H7ClF4O2/c11-7-3-6(4-16)1-2-8(7)17-5-10(14,15)9(12)13/h1-4,9H,5H2
InChIKeyYMTJJSBZOJRCFR-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.61
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde
CID 10779540
4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde
CID 19705430
2-bromo-1-chloro-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 176513372
4-(2-bromoethoxy)-3-chlorobenzaldehyde
CID 71756025
2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
CID 21071395
3-chloro-4-(2-oxobutoxy)benzaldehyde
CID 62039792
3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787
4-but-2-enoxy-3-chlorobenzaldehyde
CID 76914545
5-nitro-2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
CID 29004907
4-(10-bromodecoxy)-3-chlorobenzaldehyde
CID 134562516
3-chloro-4-(2-methylsulfanylethoxy)benzaldehyde
CID 115897536
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde?
The IUPAC name of 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde (CID 78996104) is 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde.
What is the SMILES notation for 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde?
The canonical SMILES for 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde is O=Cc1ccc(OCC(F)(F)C(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde?
The InChIKey is YMTJJSBZOJRCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4O2/c11-7-3-6(4-16)1-2-8(7)17-5-10(14,15)9(12)13/h1-4,9H,5H2.
What are the key properties of 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde?
3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde has a molecular weight of 270.61 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde is sourced from PubChem (CID 78996104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).