2-fluoroethyl cyclobutanecarboxylate

C7H11FO2 — CID 45090053

IUPAC2-fluoroethyl cyclobutanecarboxylate
SMILESO=C(OCCF)C1CCC1
InChIInChI=1S/C7H11FO2/c8-4-5-10-7(9)6-2-1-3-6/h6H,1-5H2
InChIKeyVIAVIFGIAWBUNQ-UHFFFAOYSA-N
MW146.16 g/mol
LogP1.30
Rot. Bonds3

About 2-fluoroethyl cyclobutanecarboxylate

2-fluoroethyl cyclobutanecarboxylate (PubChem CID 45090053) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 2-fluoroethyl cyclobutanecarboxylate.

Molecular Properties

Compound Name2-fluoroethyl cyclobutanecarboxylate
PubChem CID45090053
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name2-fluoroethyl cyclobutanecarboxylate
SMILESO=C(OCCF)C1CCC1
InChIInChI=1S/C7H11FO2/c8-4-5-10-7(9)6-2-1-3-6/h6H,1-5H2
InChIKeyVIAVIFGIAWBUNQ-UHFFFAOYSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoroethyl cyclobutanecarboxylate 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

2-fluoroethyl cyclopropanecarboxylate
CID 130693210
2-aminoethyl cyclohexanecarboxylate;hydrochloride
CID 67519694
hydroxymethyl cyclobutanecarboxylate
CID 137371714
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
(4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate
CID 118696020
3-bromopropyl cyclopentanecarboxylate
CID 10776091
2-[bis[2-(cyclohexanecarbonyloxy)ethyl]amino]ethyl cyclohexanecarboxylate
CID 59203981
2-oxoethyl cyclobutanecarboxylate
CID 155591676
2-(cyclohexanecarbonyloxy)ethanesulfonic acid
CID 59360397
nonyl cyclopentanecarboxylate
CID 575427
butyl 4-(2-fluoroethyl)cyclohexane-1-carboxylate
CID 70829178
2-propoxyethyl cyclohexanecarboxylate
CID 66700127

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl cyclobutanecarboxylate?
The IUPAC name of 2-fluoroethyl cyclobutanecarboxylate (CID 45090053) is 2-fluoroethyl cyclobutanecarboxylate.
What is the SMILES notation for 2-fluoroethyl cyclobutanecarboxylate?
The canonical SMILES for 2-fluoroethyl cyclobutanecarboxylate is O=C(OCCF)C1CCC1.
What is the InChIKey of 2-fluoroethyl cyclobutanecarboxylate?
The InChIKey is VIAVIFGIAWBUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c8-4-5-10-7(9)6-2-1-3-6/h6H,1-5H2.
What are the key properties of 2-fluoroethyl cyclobutanecarboxylate?
2-fluoroethyl cyclobutanecarboxylate has a molecular weight of 146.16 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl cyclobutanecarboxylate is sourced from PubChem (CID 45090053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).