3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde

C10H6F6O2 — CID 102722458

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde
SMILESO=Cc1cccc(OC(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C10H6F6O2/c11-9(12,13)8(10(14,15)16)18-7-3-1-2-6(4-7)5-17/h1-5,8H
InChIKeyNVZWCZMOUTWPIW-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.37
Rot. Bonds3

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde (PubChem CID 102722458) has the molecular formula C10H6F6O2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde
PubChem CID102722458
Molecular FormulaC10H6F6O2
Molecular Weight272.14 g/mol
Exact Mass272.03
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde
SMILESO=Cc1cccc(OC(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C10H6F6O2/c11-9(12,13)8(10(14,15)16)18-7-3-1-2-6(4-7)5-17/h1-5,8H
InChIKeyNVZWCZMOUTWPIW-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.37
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

methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzoic acid
CID 102823742
3-(1,2,3-trifluoropropoxy)benzaldehyde
CID 21071549
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
(2R)-2-(3-formylphenoxy)propanoic acid
CID 907308
bis(3-formylphenyl) oxalate
CID 10968521
3-(3,3,3-trifluoropropoxy)benzaldehyde
CID 21071509
(3-formylphenyl) formate
CID 58195323
3-(fluoromethoxy)benzaldehyde
CID 22718686
3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde
CID 7343496
4-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]phthalic acid
CID 150408794

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde (CID 102722458) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde is O=Cc1cccc(OC(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde?
The InChIKey is NVZWCZMOUTWPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O2/c11-9(12,13)8(10(14,15)16)18-7-3-1-2-6(4-7)5-17/h1-5,8H.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde has a molecular weight of 272.14 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde is sourced from PubChem (CID 102722458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).