4-(2,2-difluorocyclopropyl)-2-hydroxybutanal

C7H10F2O2 — CID 170900400

IUPAC4-(2,2-difluorocyclopropyl)-2-hydroxybutanal
SMILESO=CC(O)CCC1CC1(F)F
InChIInChI=1S/C7H10F2O2/c8-7(9)3-5(7)1-2-6(11)4-10/h4-6,11H,1-3H2
InChIKeyXRRNZDHIWLKRHH-UHFFFAOYSA-N
MW164.15 g/mol
LogP0.98
Rot. Bonds4

About 4-(2,2-difluorocyclopropyl)-2-hydroxybutanal

4-(2,2-difluorocyclopropyl)-2-hydroxybutanal (PubChem CID 170900400) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 4-(2,2-difluorocyclopropyl)-2-hydroxybutanal.

Molecular Properties

Compound Name4-(2,2-difluorocyclopropyl)-2-hydroxybutanal
PubChem CID170900400
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name4-(2,2-difluorocyclopropyl)-2-hydroxybutanal
SMILESO=CC(O)CCC1CC1(F)F
InChIInChI=1S/C7H10F2O2/c8-7(9)3-5(7)1-2-6(11)4-10/h4-6,11H,1-3H2
InChIKeyXRRNZDHIWLKRHH-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluorocyclopropyl)-2-hydroxybutanal?
The IUPAC name of 4-(2,2-difluorocyclopropyl)-2-hydroxybutanal (CID 170900400) is 4-(2,2-difluorocyclopropyl)-2-hydroxybutanal.
What is the SMILES notation for 4-(2,2-difluorocyclopropyl)-2-hydroxybutanal?
The canonical SMILES for 4-(2,2-difluorocyclopropyl)-2-hydroxybutanal is O=CC(O)CCC1CC1(F)F.
What is the InChIKey of 4-(2,2-difluorocyclopropyl)-2-hydroxybutanal?
The InChIKey is XRRNZDHIWLKRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c8-7(9)3-5(7)1-2-6(11)4-10/h4-6,11H,1-3H2.
What are the key properties of 4-(2,2-difluorocyclopropyl)-2-hydroxybutanal?
4-(2,2-difluorocyclopropyl)-2-hydroxybutanal has a molecular weight of 164.15 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluorocyclopropyl)-2-hydroxybutanal is sourced from PubChem (CID 170900400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).