3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal

C7H10F2O2 — CID 164659779

IUPAC3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal
SMILESCC(O)(C=O)CC1CC1(F)F
InChIInChI=1S/C7H10F2O2/c1-6(11,4-10)2-5-3-7(5,8)9/h4-5,11H,2-3H2,1H3
InChIKeyCWNFBCZZTCFEJH-UHFFFAOYSA-N
MW164.15 g/mol
LogP0.98
Rot. Bonds3

About 3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal

3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal (PubChem CID 164659779) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal.

Molecular Properties

Compound Name3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal
PubChem CID164659779
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal
SMILESCC(O)(C=O)CC1CC1(F)F
InChIInChI=1S/C7H10F2O2/c1-6(11,4-10)2-5-3-7(5,8)9/h4-5,11H,2-3H2,1H3
InChIKeyCWNFBCZZTCFEJH-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one
CID 67115035
2-Hydroxy-4-methyl-2-(trifluoromethyl)pentanal
CID 141079466
2-Hydroxy-2-(trifluoromethyl)pentanal
CID 141115762
2-Hydroxy-2-(trifluoromethyl)hexanal
CID 142697452
5,5,5-Trifluoro-2-hydroxy-2-methylpentanal
CID 66037911
6,6,6-Trifluoro-2-hydroxy-2-methylhexanal
CID 115515628
2,2-Dihydroxy-3-[1-(trifluoromethyl)cyclopropyl]propanal
CID 153335860
3-(2,2-Difluorocyclopropyl)-2-hydroxypropanal
CID 170900342
4-(2,2-Difluorocyclopropyl)-2-hydroxybutanal
CID 170900400
3-Cyclopropyl-2-hydroxy-2-methylpropanal
CID 121603453

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal?
The IUPAC name of 3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal (CID 164659779) is 3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal.
What is the SMILES notation for 3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal?
The canonical SMILES for 3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal is CC(O)(C=O)CC1CC1(F)F.
What is the InChIKey of 3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal?
The InChIKey is CWNFBCZZTCFEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-6(11,4-10)2-5-3-7(5,8)9/h4-5,11H,2-3H2,1H3.
What are the key properties of 3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal?
3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal has a molecular weight of 164.15 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorocyclopropyl)-2-hydroxy-2-methylpropanal is sourced from PubChem (CID 164659779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).