methane;3-(trifluoromethoxy)benzaldehyde

C9H9F3O2 — CID 143923091

IUPACmethane;3-(trifluoromethoxy)benzaldehyde
SMILESC.O=Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C8H5F3O2.CH4/c9-8(10,11)13-7-3-1-2-6(4-7)5-12;/h1-5H;1H4
InChIKeyMTHZIHFVLYZMJQ-UHFFFAOYSA-N
MW206.16 g/mol
LogP3.03
Rot. Bonds2

About methane;3-(trifluoromethoxy)benzaldehyde

methane;3-(trifluoromethoxy)benzaldehyde (PubChem CID 143923091) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is methane;3-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Namemethane;3-(trifluoromethoxy)benzaldehyde
PubChem CID143923091
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Namemethane;3-(trifluoromethoxy)benzaldehyde
SMILESC.O=Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C8H5F3O2.CH4/c9-8(10,11)13-7-3-1-2-6(4-7)5-12;/h1-5H;1H4
InChIKeyMTHZIHFVLYZMJQ-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 53.03
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

formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799
2-[3-(trifluoromethoxy)phenyl]ethenamine
CID 141333954
1-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)benzene
CID 89117521
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-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde
CID 53221935
(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 6930859
3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 69489696
(Z)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 7567628
1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene
CID 18930258

Frequently Asked Questions

What is the IUPAC name of methane;3-(trifluoromethoxy)benzaldehyde?
The IUPAC name of methane;3-(trifluoromethoxy)benzaldehyde (CID 143923091) is methane;3-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for methane;3-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for methane;3-(trifluoromethoxy)benzaldehyde is C.O=Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of methane;3-(trifluoromethoxy)benzaldehyde?
The InChIKey is MTHZIHFVLYZMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O2.CH4/c9-8(10,11)13-7-3-1-2-6(4-7)5-12;/h1-5H;1H4.
What are the key properties of methane;3-(trifluoromethoxy)benzaldehyde?
methane;3-(trifluoromethoxy)benzaldehyde has a molecular weight of 206.16 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 143923091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).