1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid

C14H17FO2 — CID 84798152

IUPAC1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
SMILESCC(C)c1cc(F)cc(C2(C(=O)O)CCC2)c1
InChIInChI=1S/C14H17FO2/c1-9(2)10-6-11(8-12(15)7-10)14(13(16)17)4-3-5-14/h6-9H,3-5H2,1-2H3,(H,16,17)
InChIKeyRSBZNZUIEVMPSE-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.46
Rot. Bonds3

About 1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid

1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 84798152) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
PubChem CID84798152
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
SMILESCC(C)c1cc(F)cc(C2(C(=O)O)CCC2)c1
InChIInChI=1S/C14H17FO2/c1-9(2)10-6-11(8-12(15)7-10)14(13(16)17)4-3-5-14/h6-9H,3-5H2,1-2H3,(H,16,17)
InChIKeyRSBZNZUIEVMPSE-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 84812607
[1-(3-fluoro-5-propan-2-ylphenyl)cyclopentyl]methanamine
CID 84797654
1-fluoro-3-(1-isocyanatocyclopentyl)-5-propan-2-ylbenzene
CID 117370879
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117474947
1-(3-fluoro-4-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 84800517
1-(3,5-difluorophenyl)-3-oxocyclobutane-1-carboxylic acid
CID 64906470
1-(3,5-difluoro-4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117393695
1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 112812988
1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 117336685
1-(3-fluoro-4-hydroxy-5-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117352802
1-(2,3,5-trifluorophenyl)cyclobutane-1-carboxylic acid
CID 117114337
1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid
CID 116992097

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid (CID 84798152) is 1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid is CC(C)c1cc(F)cc(C2(C(=O)O)CCC2)c1.
What is the InChIKey of 1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is RSBZNZUIEVMPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-9(2)10-6-11(8-12(15)7-10)14(13(16)17)4-3-5-14/h6-9H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid?
1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 236.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 84798152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).