1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid

C15H18F2O2 — CID 116992097

IUPAC1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid
SMILESCC(C)C(F)(F)c1ccc(C2(C(=O)O)CCC2)cc1
InChIInChI=1S/C15H18F2O2/c1-10(2)15(16,17)12-6-4-11(5-7-12)14(13(18)19)8-3-9-14/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyMNNOXBUXSMTLKA-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.94
Rot. Bonds4

About 1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid

1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid (PubChem CID 116992097) has the molecular formula C15H18F2O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid
PubChem CID116992097
Molecular FormulaC15H18F2O2
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Name1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid
SMILESCC(C)C(F)(F)c1ccc(C2(C(=O)O)CCC2)cc1
InChIInChI=1S/C15H18F2O2/c1-10(2)15(16,17)12-6-4-11(5-7-12)14(13(18)19)8-3-9-14/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyMNNOXBUXSMTLKA-UHFFFAOYSA-N
XLogP3.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid 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

[1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol
CID 116992098
1-[4-(2-methylsulfonylpropan-2-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117114286
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117410996
1-[4-(3,3-difluoropropyl)phenyl]cyclobutane-1-carboxylic acid
CID 117388742
1-(3-fluoro-4-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 84800517
1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117404247
1-(4-anilinophenyl)cyclobutane-1-carboxylic acid
CID 82537404
1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid
CID 117405474
1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one
CID 164836434
1-[4-(methoxycarbonylamino)phenyl]cyclobutane-1-carboxylic acid
CID 117375603

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid (CID 116992097) is 1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid is CC(C)C(F)(F)c1ccc(C2(C(=O)O)CCC2)cc1.
What is the InChIKey of 1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid?
The InChIKey is MNNOXBUXSMTLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O2/c1-10(2)15(16,17)12-6-4-11(5-7-12)14(13(18)19)8-3-9-14/h4-7,10H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid?
1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid has a molecular weight of 268.30 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116992097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).