1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid

C14H16F2O2 — CID 65016879

IUPAC1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
SMILESCC(C)C1CC(C(=O)O)(c2ccc(F)cc2F)C1
InChIInChI=1S/C14H16F2O2/c1-8(2)9-6-14(7-9,13(17)18)11-4-3-10(15)5-12(11)16/h3-5,8-9H,6-7H2,1-2H3,(H,17,18)
InChIKeyVGNIVMGTCCQZHU-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.35
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid

1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid (PubChem CID 65016879) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
PubChem CID65016879
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Name1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
SMILESCC(C)C1CC(C(=O)O)(c2ccc(F)cc2F)C1
InChIInChI=1S/C14H16F2O2/c1-8(2)9-6-14(7-9,13(17)18)11-4-3-10(15)5-12(11)16/h3-5,8-9H,6-7H2,1-2H3,(H,17,18)
InChIKeyVGNIVMGTCCQZHU-UHFFFAOYSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4-difluorophenyl)oxane-4-carboxylic acid
CID 64561177
1-(2-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65017177
1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone
CID 83685876
3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 120522765
1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65016675
1-(1,3-benzodioxol-5-yl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65017280
1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 63409045
cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 94256560
1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529406
1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 63407272
1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117389251
1-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 83412485

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid (CID 65016879) is 1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid is CC(C)C1CC(C(=O)O)(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The InChIKey is VGNIVMGTCCQZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c1-8(2)9-6-14(7-9,13(17)18)11-4-3-10(15)5-12(11)16/h3-5,8-9H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid?
1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid has a molecular weight of 254.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 65016879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).