1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde

C10H13F2NO2 — CID 134421444

IUPAC1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(C(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C10H13F2NO2/c11-10(12)3-5-13(6-4-10)8(15)9(7-14)1-2-9/h7H,1-6H2
InChIKeyXUSNCUGCTPHKRV-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.22
Rot. Bonds2

About 1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde

1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde (PubChem CID 134421444) has the molecular formula C10H13F2NO2 and a molecular weight of 217.21 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde
PubChem CID134421444
Molecular FormulaC10H13F2NO2
Molecular Weight217.21 g/mol
Exact Mass217.09
IUPAC Name1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(C(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C10H13F2NO2/c11-10(12)3-5-13(6-4-10)8(15)9(7-14)1-2-9/h7H,1-6H2
InChIKeyXUSNCUGCTPHKRV-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde (CID 134421444) is 1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde is O=CC1(C(=O)N2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde?
The InChIKey is XUSNCUGCTPHKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c11-10(12)3-5-13(6-4-10)8(15)9(7-14)1-2-9/h7H,1-6H2.
What are the key properties of 1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde?
1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde has a molecular weight of 217.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidine-1-carbonyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 134421444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).