1-(2-fluoroethyl)cyclobutane-1-carboxylic acid

C7H11FO2 — CID 80693972

IUPAC1-(2-fluoroethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CCF)CCC1
InChIInChI=1S/C7H11FO2/c8-5-4-7(6(9)10)2-1-3-7/h1-5H2,(H,9,10)
InChIKeyDTIKMWLDJUHXGQ-UHFFFAOYSA-N
MW146.16 g/mol
LogP1.60
Rot. Bonds3

About 1-(2-fluoroethyl)cyclobutane-1-carboxylic acid

1-(2-fluoroethyl)cyclobutane-1-carboxylic acid (PubChem CID 80693972) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 1-(2-fluoroethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)cyclobutane-1-carboxylic acid
PubChem CID80693972
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name1-(2-fluoroethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CCF)CCC1
InChIInChI=1S/C7H11FO2/c8-5-4-7(6(9)10)2-1-3-7/h1-5H2,(H,9,10)
InChIKeyDTIKMWLDJUHXGQ-UHFFFAOYSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-fluoroethyl)oxane-4-carboxylic acid
CID 80695924
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
1-(fluoromethyl)cycloheptane-1-carboxylic acid
CID 84766672
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-(3-bromopropyl)cyclobutane-1-carboxylic acid
CID 18406028
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
CID 3060307
1-(4-carboxybutyl)cyclobutane-1-carboxylic acid
CID 54177362
1-(iodomethyl)cyclobutane-1-carboxylic acid
CID 130873802
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)cyclobutane-1-carboxylic acid (CID 80693972) is 1-(2-fluoroethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)cyclobutane-1-carboxylic acid is O=C(O)C1(CCF)CCC1.
What is the InChIKey of 1-(2-fluoroethyl)cyclobutane-1-carboxylic acid?
The InChIKey is DTIKMWLDJUHXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c8-5-4-7(6(9)10)2-1-3-7/h1-5H2,(H,9,10).
What are the key properties of 1-(2-fluoroethyl)cyclobutane-1-carboxylic acid?
1-(2-fluoroethyl)cyclobutane-1-carboxylic acid has a molecular weight of 146.16 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80693972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).