1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde

C11H10F2O — CID 22722131

IUPAC1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde
SMILESO=CC1(c2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C11H10F2O/c12-9-3-2-8(6-10(9)13)11(7-14)4-1-5-11/h2-3,6-7H,1,4-5H2
InChIKeyNMTPREQHEQKAJE-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.59
Rot. Bonds2

About 1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde

1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde (PubChem CID 22722131) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde
PubChem CID22722131
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde
SMILESO=CC1(c2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C11H10F2O/c12-9-3-2-8(6-10(9)13)11(7-14)4-1-5-11/h2-3,6-7H,1,4-5H2
InChIKeyNMTPREQHEQKAJE-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.59
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 1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde?
The IUPAC name of 1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde (CID 22722131) is 1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde is O=CC1(c2ccc(F)c(F)c2)CCC1.
What is the InChIKey of 1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde?
The InChIKey is NMTPREQHEQKAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O/c12-9-3-2-8(6-10(9)13)11(7-14)4-1-5-11/h2-3,6-7H,1,4-5H2.
What are the key properties of 1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde?
1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde has a molecular weight of 196.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 22722131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).