1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid

C14H17FO2 — CID 65014142

IUPAC1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid
SMILESCCCC1CC(C(=O)O)(c2ccccc2F)C1
InChIInChI=1S/C14H17FO2/c1-2-5-10-8-14(9-10,13(16)17)11-6-3-4-7-12(11)15/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,17)
InChIKeyIMXYRZLZCIQONU-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.36
Rot. Bonds4

About 1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid

1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid (PubChem CID 65014142) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid
PubChem CID65014142
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid
SMILESCCCC1CC(C(=O)O)(c2ccccc2F)C1
InChIInChI=1S/C14H17FO2/c1-2-5-10-8-14(9-10,13(16)17)11-6-3-4-7-12(11)15/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,17)
InChIKeyIMXYRZLZCIQONU-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylphenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65013569
1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65013802
1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
CID 64906471
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine
CID 65013584
1-(3-chlorophenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65013570
1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65013921
1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 82304051
3-ethyl-1-phenylcyclobutane-1-carboxylic acid
CID 65000498
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65013702
1-(4-fluorophenyl)-4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid
CID 57221369
3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid
CID 115050323
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid (CID 65014142) is 1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid is CCCC1CC(C(=O)O)(c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid?
The InChIKey is IMXYRZLZCIQONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-2-5-10-8-14(9-10,13(16)17)11-6-3-4-7-12(11)15/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,17).
What are the key properties of 1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid?
1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid has a molecular weight of 236.29 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 65014142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).