1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde

C8H12F2O — CID 84764469

IUPAC1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde
SMILESCC(F)(F)C1(C=O)CCCC1
InChIInChI=1S/C8H12F2O/c1-7(9,10)8(6-11)4-2-3-5-8/h6H,2-5H2,1H3
InChIKeyFHYUKNUYCPWKOY-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.40
Rot. Bonds2

About 1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde

1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde (PubChem CID 84764469) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde
PubChem CID84764469
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde
SMILESCC(F)(F)C1(C=O)CCCC1
InChIInChI=1S/C8H12F2O/c1-7(9,10)8(6-11)4-2-3-5-8/h6H,2-5H2,1H3
InChIKeyFHYUKNUYCPWKOY-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.40
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-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde?
The IUPAC name of 1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde (CID 84764469) is 1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde is CC(F)(F)C1(C=O)CCCC1.
What is the InChIKey of 1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde?
The InChIKey is FHYUKNUYCPWKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-7(9,10)8(6-11)4-2-3-5-8/h6H,2-5H2,1H3.
What are the key properties of 1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde?
1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde has a molecular weight of 162.18 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 84764469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).