2-fluoro-3-(trifluoromethyl)benzaldehyde

C8H4F4O — CID 517978

IUPAC2-fluoro-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C8H4F4O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H
InChIKeyXDMZVNQKVMTCSP-UHFFFAOYSA-N
MW192.11 g/mol
LogP2.66
Rot. Bonds1

About 2-fluoro-3-(trifluoromethyl)benzaldehyde

2-fluoro-3-(trifluoromethyl)benzaldehyde (PubChem CID 517978) has the molecular formula C8H4F4O and a molecular weight of 192.11 g/mol. Its IUPAC name is 2-fluoro-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-3-(trifluoromethyl)benzaldehyde
PubChem CID517978
Molecular FormulaC8H4F4O
Molecular Weight192.11 g/mol
Exact Mass192.02
IUPAC Name2-fluoro-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C8H4F4O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H
InChIKeyXDMZVNQKVMTCSP-UHFFFAOYSA-N
XLogP2.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-fluoro-3-(trifluoromethyl)benzaldehyde (CID 517978) is 2-fluoro-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-fluoro-3-(trifluoromethyl)benzaldehyde is O=Cc1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-3-(trifluoromethyl)benzaldehyde?
The InChIKey is XDMZVNQKVMTCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H.
What are the key properties of 2-fluoro-3-(trifluoromethyl)benzaldehyde?
2-fluoro-3-(trifluoromethyl)benzaldehyde has a molecular weight of 192.11 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 517978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).