2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride

C6H11ClFNO — CID 115013371

IUPAC2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride
SMILESCl.O=CCN1CCC(F)C1
InChIInChI=1S/C6H10FNO.ClH/c7-6-1-2-8(5-6)3-4-9;/h4,6H,1-3,5H2;1H
InChIKeyFZIMENZGCPBKCP-UHFFFAOYSA-N
MW167.61 g/mol
LogP0.65
Rot. Bonds2

About 2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride

2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride (PubChem CID 115013371) has the molecular formula C6H11ClFNO and a molecular weight of 167.61 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride
PubChem CID115013371
Molecular FormulaC6H11ClFNO
Molecular Weight167.61 g/mol
Exact Mass167.05
IUPAC Name2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride
SMILESCl.O=CCN1CCC(F)C1
InChIInChI=1S/C6H10FNO.ClH/c7-6-1-2-8(5-6)3-4-9;/h4,6H,1-3,5H2;1H
InChIKeyFZIMENZGCPBKCP-UHFFFAOYSA-N
XLogP0.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.61
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde
CID 90692786
(E)-4-(3-fluoropyrrolidin-1-yl)but-2-enoic acid
CID 130283749
4-[(3S)-3-fluoropyrrolidin-1-yl]but-2-enamide
CID 175740698
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde
CID 64598603
(E)-4-(3-fluoropyrrolidin-1-yl)-N-iodobut-2-enamide
CID 166685789
2-[4,7-bis(2-oxoethyl)-1,4,7-triazonan-1-yl]acetaldehyde
CID 20775518
2-(3-hydroxypiperidin-1-yl)acetaldehyde
CID 62035044
2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde
CID 166693019
(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine
CID 130667245
2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 67408508
3-fluoro-1-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 18180007
(E)-4-(3-fluoropyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 162736731

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride (CID 115013371) is 2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride is Cl.O=CCN1CCC(F)C1.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride?
The InChIKey is FZIMENZGCPBKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO.ClH/c7-6-1-2-8(5-6)3-4-9;/h4,6H,1-3,5H2;1H.
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride?
2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride has a molecular weight of 167.61 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-1-yl)acetaldehyde;hydrochloride is sourced from PubChem (CID 115013371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).