3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid

C9H14F2O2 — CID 131111159

IUPAC3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CC1CC(F)(F)C1)C(=O)O
InChIInChI=1S/C9H14F2O2/c1-8(2,7(12)13)3-6-4-9(10,11)5-6/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyDTDXKLSPWJYHNX-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.53
Rot. Bonds3

About 3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid

3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid (PubChem CID 131111159) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid
PubChem CID131111159
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CC1CC(F)(F)C1)C(=O)O
InChIInChI=1S/C9H14F2O2/c1-8(2,7(12)13)3-6-4-9(10,11)5-6/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyDTDXKLSPWJYHNX-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Pinic acid
CID 10131
5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptanoic Acid
CID 2774849
2-Ethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic acid
CID 50741600
Cyclobutanecarboxylic acid, 3-propyl-
CID 47797
Spiro[3.3]heptane-2-carboxylic acid
CID 20320775
3-Cyclobutyl-2,2-dimethylpropanoic acid
CID 20517130
2,2-Difluorospiro[2.3]hexane-1-carboxylic acid
CID 130743894
2,2,4-Trimethylheptanoic acid
CID 19897944
Nonanoic acid, 9-(2,2,3,3-tetrafluorocyclobutyl)-
CID 58986
(1S,3S)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 12314327
1-(Trifluoromethyl)cyclohexane-1-carboxylic acid
CID 15507524
2-Methylspiro(3.3)heptane-2-carboxylic acid
CID 20320777

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid (CID 131111159) is 3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid is CC(C)(CC1CC(F)(F)C1)C(=O)O.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid?
The InChIKey is DTDXKLSPWJYHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-8(2,7(12)13)3-6-4-9(10,11)5-6/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid?
3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid has a molecular weight of 192.20 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 131111159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).