formyl chloride;1,3,5-tris(trifluoromethyl)benzene

C10H4ClF9O — CID 174890856

IUPACformyl chloride;1,3,5-tris(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=CCl
InChIInChI=1S/C9H3F9.CHClO/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18;2-1-3/h1-3H;1H
InChIKeyDYIDBVDIFWKVNB-UHFFFAOYSA-N
MW346.58 g/mol
LogP5.16
Rot. Bonds

About formyl chloride;1,3,5-tris(trifluoromethyl)benzene

formyl chloride;1,3,5-tris(trifluoromethyl)benzene (PubChem CID 174890856) has the molecular formula C10H4ClF9O and a molecular weight of 346.58 g/mol. Its IUPAC name is formyl chloride;1,3,5-tris(trifluoromethyl)benzene.

Molecular Properties

Compound Nameformyl chloride;1,3,5-tris(trifluoromethyl)benzene
PubChem CID174890856
Molecular FormulaC10H4ClF9O
Molecular Weight346.58 g/mol
Exact Mass345.98
IUPAC Nameformyl chloride;1,3,5-tris(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=CCl
InChIInChI=1S/C9H3F9.CHClO/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18;2-1-3/h1-3H;1H
InChIKeyDYIDBVDIFWKVNB-UHFFFAOYSA-N
XLogP5.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.58
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
N-[3,5-bis(trifluoromethyl)phenyl]formamide
CID 11322837
tris[3,5-bis(trifluoromethyl)phenyl]arsane
CID 71356716
sodium 1-sulfinato-3,5-bis(trifluoromethyl)benzene
CID 171687877
[3,5-bis(trifluoromethyl)phenyl]-chlorophosphane
CID 22415845
CID 10890130
CID 10890130
CID 87457276
CID 87457276
1-(1,1-difluoroethyl)-3-isocyanato-5-(trifluoromethyl)benzene
CID 162577062
3,5-bis(trifluoromethyl)phenol;dichlorozirconium
CID 174355043
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
lithium [3,5-bis(trifluoromethyl)phenyl]azanide
CID 132500492
2-[3,5-bis(trifluoromethyl)phenyl]-1,3,2-dioxaborolane-4,5-dione
CID 88602119

Frequently Asked Questions

What is the IUPAC name of formyl chloride;1,3,5-tris(trifluoromethyl)benzene?
The IUPAC name of formyl chloride;1,3,5-tris(trifluoromethyl)benzene (CID 174890856) is formyl chloride;1,3,5-tris(trifluoromethyl)benzene.
What is the SMILES notation for formyl chloride;1,3,5-tris(trifluoromethyl)benzene?
The canonical SMILES for formyl chloride;1,3,5-tris(trifluoromethyl)benzene is FC(F)(F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=CCl.
What is the InChIKey of formyl chloride;1,3,5-tris(trifluoromethyl)benzene?
The InChIKey is DYIDBVDIFWKVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F9.CHClO/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18;2-1-3/h1-3H;1H.
What are the key properties of formyl chloride;1,3,5-tris(trifluoromethyl)benzene?
formyl chloride;1,3,5-tris(trifluoromethyl)benzene has a molecular weight of 346.58 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formyl chloride;1,3,5-tris(trifluoromethyl)benzene is sourced from PubChem (CID 174890856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).