formyl chloride;3-(trifluoromethoxy)benzaldehyde

C9H6ClF3O3 — CID 174520799

IUPACformyl chloride;3-(trifluoromethoxy)benzaldehyde
SMILESO=CCl.O=Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C8H5F3O2.CHClO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12;2-1-3/h1-5H;1H
InChIKeyDPEUZSNALPTLBK-UHFFFAOYSA-N
MW254.59 g/mol
LogP2.81
Rot. Bonds2

About formyl chloride;3-(trifluoromethoxy)benzaldehyde

formyl chloride;3-(trifluoromethoxy)benzaldehyde (PubChem CID 174520799) has the molecular formula C9H6ClF3O3 and a molecular weight of 254.59 g/mol. Its IUPAC name is formyl chloride;3-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Nameformyl chloride;3-(trifluoromethoxy)benzaldehyde
PubChem CID174520799
Molecular FormulaC9H6ClF3O3
Molecular Weight254.59 g/mol
Exact Mass254.00
IUPAC Nameformyl chloride;3-(trifluoromethoxy)benzaldehyde
SMILESO=CCl.O=Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C8H5F3O2.CHClO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12;2-1-3/h1-5H;1H
InChIKeyDPEUZSNALPTLBK-UHFFFAOYSA-N
XLogP2.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
2-[3-(trifluoromethoxy)phenyl]ethenamine
CID 141333954
1-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)benzene
CID 89117521
1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene
CID 18930258
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde
CID 102722458
3-(trifluoromethoxy)-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475563
3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde
CID 91655985
3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde
CID 53221935
(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 6930859
(Z)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 7567628

Frequently Asked Questions

What is the IUPAC name of formyl chloride;3-(trifluoromethoxy)benzaldehyde?
The IUPAC name of formyl chloride;3-(trifluoromethoxy)benzaldehyde (CID 174520799) is formyl chloride;3-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for formyl chloride;3-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for formyl chloride;3-(trifluoromethoxy)benzaldehyde is O=CCl.O=Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of formyl chloride;3-(trifluoromethoxy)benzaldehyde?
The InChIKey is DPEUZSNALPTLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O2.CHClO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12;2-1-3/h1-5H;1H.
What are the key properties of formyl chloride;3-(trifluoromethoxy)benzaldehyde?
formyl chloride;3-(trifluoromethoxy)benzaldehyde has a molecular weight of 254.59 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formyl chloride;3-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 174520799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).