2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride

C6H10ClF2NO — CID 115017002

IUPAC2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride
SMILESCl.O=CCN1CCC(F)(F)C1
InChIInChI=1S/C6H9F2NO.ClH/c7-6(8)1-2-9(5-6)3-4-10;/h4H,1-3,5H2;1H
InChIKeyHFILTXKEZRERPP-UHFFFAOYSA-N
MW185.60 g/mol
LogP0.95
Rot. Bonds2

About 2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride

2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride (PubChem CID 115017002) has the molecular formula C6H10ClF2NO and a molecular weight of 185.60 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride
PubChem CID115017002
Molecular FormulaC6H10ClF2NO
Molecular Weight185.60 g/mol
Exact Mass185.04
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride
SMILESCl.O=CCN1CCC(F)(F)C1
InChIInChI=1S/C6H9F2NO.ClH/c7-6(8)1-2-9(5-6)3-4-10;/h4H,1-3,5H2;1H
InChIKeyHFILTXKEZRERPP-UHFFFAOYSA-N
XLogP0.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.60
LogP ≤ 50.95
H-Bond Donors ≤ 50
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 2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride (CID 115017002) is 2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride is Cl.O=CCN1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride?
The InChIKey is HFILTXKEZRERPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO.ClH/c7-6(8)1-2-9(5-6)3-4-10;/h4H,1-3,5H2;1H.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride?
2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride has a molecular weight of 185.60 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride is sourced from PubChem (CID 115017002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).