(2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid

C7H10FNO2 — CID 175401740

IUPAC(2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid
SMILESO=C(O)/C=C1\CCNCC1F
InChIInChI=1S/C7H10FNO2/c8-6-4-9-2-1-5(6)3-7(10)11/h3,6,9H,1-2,4H2,(H,10,11)/b5-3+
InChIKeyVUTMLHAFRAXLQJ-HWKANZROSA-N
MW159.16 g/mol
LogP0.33
Rot. Bonds1

About (2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid

(2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid (PubChem CID 175401740) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is (2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid
PubChem CID175401740
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name(2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid
SMILESO=C(O)/C=C1\CCNCC1F
InChIInChI=1S/C7H10FNO2/c8-6-4-9-2-1-5(6)3-7(10)11/h3,6,9H,1-2,4H2,(H,10,11)/b5-3+
InChIKeyVUTMLHAFRAXLQJ-HWKANZROSA-N
XLogP0.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Piperidin-4-ylidene)acetic acid
CID 15565784
(e)-2-(Piperidin-3-ylidene)acetic acid trifluoroacetic acid salt
CID 66682741
2-Piperidin-3-ylideneacetic acid;2,2,2-trifluoroacetic acid
CID 66682743
2-Piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid
CID 68525260
(E)-3-(5,5-difluoropiperidin-3-yl)prop-2-enoic acid
CID 138731973
Fluorosulfanyl 2-piperidin-4-ylideneacetate
CID 141854501
methyl (2Z)-2-(3-fluoropiperidin-4-ylidene)acetate
CID 168150255
methyl (2E)-2-(3-fluoropiperidin-4-ylidene)acetate
CID 168150397
(Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid
CID 105435399
(Z)-2-fluoro-3-piperidin-3-ylprop-2-enoic acid
CID 115014116
2-Fluoro-2-(piperidin-4-ylidene)acetic acid
CID 130778205
Methyl 2-(3-fluoropiperidin-4-ylidene)acetate
CID 170169412

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid?
The IUPAC name of (2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid (CID 175401740) is (2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid.
What is the SMILES notation for (2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid?
The canonical SMILES for (2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid is O=C(O)/C=C1\CCNCC1F.
What is the InChIKey of (2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid?
The InChIKey is VUTMLHAFRAXLQJ-HWKANZROSA-N. The full InChI is InChI=1S/C7H10FNO2/c8-6-4-9-2-1-5(6)3-7(10)11/h3,6,9H,1-2,4H2,(H,10,11)/b5-3+.
What are the key properties of (2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid?
(2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid has a molecular weight of 159.16 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid is sourced from PubChem (CID 175401740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).