2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride

C7H11ClFNO2 — CID 146082990

IUPAC2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride
SMILESCl.O=C(O)C(F)=C1CCNCC1
InChIInChI=1S/C7H10FNO2.ClH/c8-6(7(10)11)5-1-3-9-4-2-5;/h9H,1-4H2,(H,10,11);1H
InChIKeyUMKFGUDSHVKTAH-UHFFFAOYSA-N
MW195.62 g/mol
LogP1.10
Rot. Bonds1

About 2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride

2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride (PubChem CID 146082990) has the molecular formula C7H11ClFNO2 and a molecular weight of 195.62 g/mol. Its IUPAC name is 2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride.

Molecular Properties

Compound Name2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride
PubChem CID146082990
Molecular FormulaC7H11ClFNO2
Molecular Weight195.62 g/mol
Exact Mass195.05
IUPAC Name2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride
SMILESCl.O=C(O)C(F)=C1CCNCC1
InChIInChI=1S/C7H10FNO2.ClH/c8-6(7(10)11)5-1-3-9-4-2-5;/h9H,1-4H2,(H,10,11);1H
InChIKeyUMKFGUDSHVKTAH-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.62
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Piperidin-4-ylidene)acetic acid
CID 15565784
2-Fluoro-2-(piperidin-4-ylidene)acetic acid
CID 130778205
(2Z)-2-(3-fluoropiperidin-4-ylidene)acetic acid
CID 175401709
2-(3-Fluoropiperidin-4-ylidene)acetic acid
CID 175401711
(2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid
CID 175401740
(2Z)-2-piperidin-3-ylideneacetic acid
CID 20140791
(2E)-2-piperidin-3-ylideneacetic acid
CID 66682742
2-Piperidin-3-ylideneacetic acid
CID 66682744
2-[(3Z)-piperidin-3-ylidene]acetic acid hydrochloride
CID 126845816
2-Piperidin-3-ylideneacetic acid;hydrochloride
CID 134210709
2-(4-Piperidylidene)propanoic Acid
CID 142139231
Chloro 2-piperidin-4-ylidenepropanoate
CID 157022577

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride?
The IUPAC name of 2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride (CID 146082990) is 2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride.
What is the SMILES notation for 2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride?
The canonical SMILES for 2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride is Cl.O=C(O)C(F)=C1CCNCC1.
What is the InChIKey of 2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride?
The InChIKey is UMKFGUDSHVKTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2.ClH/c8-6(7(10)11)5-1-3-9-4-2-5;/h9H,1-4H2,(H,10,11);1H.
What are the key properties of 2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride?
2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride has a molecular weight of 195.62 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride is sourced from PubChem (CID 146082990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).