4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde

C10H6F6O — CID 175229696

IUPAC4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde
SMILESO=Cc1ccc(C(F)(C(F)F)C(F)(F)F)cc1
InChIInChI=1S/C10H6F6O/c11-8(12)9(13,10(14,15)16)7-3-1-6(5-17)2-4-7/h1-5,8H
InChIKeyWRVCEPDHIGHAKP-UHFFFAOYSA-N
MW256.15 g/mol
LogP3.49
Rot. Bonds3

About 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde

4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde (PubChem CID 175229696) has the molecular formula C10H6F6O and a molecular weight of 256.15 g/mol. Its IUPAC name is 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde
PubChem CID175229696
Molecular FormulaC10H6F6O
Molecular Weight256.15 g/mol
Exact Mass256.03
IUPAC Name4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde
SMILESO=Cc1ccc(C(F)(C(F)F)C(F)(F)F)cc1
InChIInChI=1S/C10H6F6O/c11-8(12)9(13,10(14,15)16)7-3-1-6(5-17)2-4-7/h1-5,8H
InChIKeyWRVCEPDHIGHAKP-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 53.49
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 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde?
The IUPAC name of 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde (CID 175229696) is 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde.
What is the SMILES notation for 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde?
The canonical SMILES for 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde is O=Cc1ccc(C(F)(C(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde?
The InChIKey is WRVCEPDHIGHAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O/c11-8(12)9(13,10(14,15)16)7-3-1-6(5-17)2-4-7/h1-5,8H.
What are the key properties of 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde?
4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde has a molecular weight of 256.15 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)benzaldehyde is sourced from PubChem (CID 175229696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).