(2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid

C8H11FO3 — CID 131424474

IUPAC(2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid
SMILESCC1C/C(=C(\F)C(=O)O)CCO1
InChIInChI=1S/C8H11FO3/c1-5-4-6(2-3-12-5)7(9)8(10)11/h5H,2-4H2,1H3,(H,10,11)/b7-6-
InChIKeyVIJMNVWYYKOHFH-SREVYHEPSA-N
MW174.17 g/mol
LogP1.49
Rot. Bonds1

About (2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid

(2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid (PubChem CID 131424474) has the molecular formula C8H11FO3 and a molecular weight of 174.17 g/mol. Its IUPAC name is (2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid
PubChem CID131424474
Molecular FormulaC8H11FO3
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Name(2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid
SMILESCC1C/C(=C(\F)C(=O)O)CCO1
InChIInChI=1S/C8H11FO3/c1-5-4-6(2-3-12-5)7(9)8(10)11/h5H,2-4H2,1H3,(H,10,11)/b7-6-
InChIKeyVIJMNVWYYKOHFH-SREVYHEPSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-2-(2H-pyran-4(3H,5H,6H)-ylidene)acetic acid
CID 23018000
(2E)-2-(3-fluorooxan-4-ylidene)butanoic acid
CID 89914125
(2Z)-2-(3-fluorooxan-4-ylidene)butanoic acid
CID 89914126
Ethyl 2-(2,6-dimethyloxan-4-ylidene)-2-fluoroacetate
CID 124157695
2-(3-Fluorooxan-4-ylidene)butanoic acid
CID 173525258
ethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate
CID 24756474
ethyl (2E)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate
CID 24756479
2-Fluoro-2-(oxepan-4-ylidene)acetic acid
CID 79729169
2-(2,2-Dimethyloxan-4-ylidene)-2-fluoroacetic acid
CID 79729175
2-(2-Ethyloxan-4-ylidene)-2-fluoroacetic acid
CID 79729549
2-Fluoro-2-(2-methyloxan-4-ylidene)acetic acid
CID 79729730
2-(2-Ethyl-2-methyloxan-4-ylidene)-2-fluoroacetic acid
CID 79729823

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid?
The IUPAC name of (2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid (CID 131424474) is (2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid is CC1C/C(=C(\F)C(=O)O)CCO1.
What is the InChIKey of (2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid?
The InChIKey is VIJMNVWYYKOHFH-SREVYHEPSA-N. The full InChI is InChI=1S/C8H11FO3/c1-5-4-6(2-3-12-5)7(9)8(10)11/h5H,2-4H2,1H3,(H,10,11)/b7-6-.
What are the key properties of (2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid?
(2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid has a molecular weight of 174.17 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-fluoro-2-(2-methyloxan-4-ylidene)acetic acid is sourced from PubChem (CID 131424474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).