2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid

C10H15FO3 — CID 164651350

IUPAC2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid
SMILESCCOC1CCC(=C(F)C(=O)O)CC1
InChIInChI=1S/C10H15FO3/c1-2-14-8-5-3-7(4-6-8)9(11)10(12)13/h8H,2-6H2,1H3,(H,12,13)/b9-7-
InChIKeyFLJLKUOXJTYUTN-CLFYSBASSA-N
MW202.22 g/mol
LogP2.27
Rot. Bonds3

About 2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid

2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid (PubChem CID 164651350) has the molecular formula C10H15FO3 and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid
PubChem CID164651350
Molecular FormulaC10H15FO3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid
SMILESCCOC1CCC(=C(F)C(=O)O)CC1
InChIInChI=1S/C10H15FO3/c1-2-14-8-5-3-7(4-6-8)9(11)10(12)13/h8H,2-6H2,1H3,(H,12,13)/b9-7-
InChIKeyFLJLKUOXJTYUTN-CLFYSBASSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 52.27
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-(3-ethoxycyclobutylidene)-2-fluoroacetic acid
CID 103161298
2-(4,4-dimethylcyclohexylidene)-2-fluoroacetic acid
CID 79728912
3-ethoxycyclopentan-1-one
CID 15050470
4-(4-ethoxypiperidin-1-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993190
ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid
CID 67386497
1-ethoxy-4-(2-fluoroethyl)cyclohexane
CID 18344106
ethoxycyclooctane
CID 13427982
(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
4-(4-ethoxypiperidin-1-yl)-2-ethylbut-2-enoic acid
CID 77101869
[1-(4-ethoxycyclohexyl)piperidin-4-yl]carbamic acid
CID 66741641
3-(4-ethoxypiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821841

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid?
The IUPAC name of 2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid (CID 164651350) is 2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid is CCOC1CCC(=C(F)C(=O)O)CC1.
What is the InChIKey of 2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid?
The InChIKey is FLJLKUOXJTYUTN-CLFYSBASSA-N. The full InChI is InChI=1S/C10H15FO3/c1-2-14-8-5-3-7(4-6-8)9(11)10(12)13/h8H,2-6H2,1H3,(H,12,13)/b9-7-.
What are the key properties of 2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid?
2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid has a molecular weight of 202.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid is sourced from PubChem (CID 164651350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).